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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-(3-methoxyphenyl)isoxazole-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-methoxyphenyl)-3-isoxazolecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-(3-methoxyphenyl)isoxazole-3-carboxamide Formula: C20H17N3O3S MolecularWeight: 379.43228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3S/c1-25-13-6-4-5-12(9-13)17-10-16(23-26-17)19(24)22-20-15(11-21)14-7-2-3-8-18(14)27-20/h4-6,9-10H,2-3,7-8H2,1H3,(H,22,24)