N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)isoxazole-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-3-isoxazolecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)isoxazole-3-carboxamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)OC

InChI

InChI=1S/C21H19N3O4S/c1-26-16-8-7-12(9-18(16)27-2)17-10-15(24-28-17)20(25)23-21-14(11-22)13-5-3-4-6-19(13)29-21/h7-10H,3-6H2,1-2H3,(H,23,25)