N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide (Q27185647)

AK-968/12269460 (English)

10 October 2016

chemical formula

C₂₁H₂₀ClN₃O₃S

1 reference

AK-968/12269460 (English)

10 October 2016

canonical SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C

1 reference

AK-968/12269460 (English)

InChI=1S/C21H20ClN3O3S/c1-10-7-8-13-15(9-10)29-21(17(13)19(23)26)24-20(27)16-11(2)28-25-18(16)12-5-3-4-6-14(12)22/h3-6,10H,7-9H2,1-2H3,(H2,23,26)(H,24,27)

10 October 2016

Identifiers

InChI

1 reference

AK-968/12269460 (English)

PSHNNPOXZYOMBJ-UHFFFAOYSA-N

10 October 2016

InChIKey

2 references

AK-968/12269460 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-(3-Carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (English)

10 October 2016

2 references

AK-968/12269460 (English)

matched by identifier from

10 October 2016

InChIKey

PSHNNPOXZYOMBJ-UHFFFAOYSA-N

ChEBI ID

107347

mapping relation type

2 references

N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide (English)

matched by identifier from

10 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H20ClN3O3S/c1-10-7-8-13-15(9-10)29-21(17(13)19(23)26)24-20(27)16-11(2)28-25-18(16)12-5-3-4-6-14(12)22/h3-6,10H,7-9H2,1-2H3,(H2,23,26)(H,24,27)

1 reference