(3S)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methoxy-2-oxidanylidene-3,4-dihydrochromene-3-carboxamide

Systemtic Name: (3S)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methoxy-2-oxidanylidene-3,4-dihydrochromene-3-carboxamide Openeye Name: (3S)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methoxy-2-oxo-chromane-3-carboxamide CAS Name: (3S)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methoxy-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name: (3S)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methoxy-2-oxo-3,4-dihydrochromene-3-carboxamide Traditional Name: (3S)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-keto-6-methoxy-chroman-3-carboxamide Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C(C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)[C@@H](C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C20H18N2O4S/c1-25-12-6-7-16-11(8-12)9-14(20(24)26-16)18(23)22-19-15(10-21)13-4-2-3-5-17(13)27-19/h6-8,14H,2-5,9H2,1H3,(H,22,23)/t14-/m0/s1