N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-1-oxo-isochromane-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-keto-6-methyl-isochroman-3-carboxamide Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C20H18N2O3S/c1-11-6-7-13-12(8-11)9-16(25-20(13)24)18(23)22-19-15(10-21)14-4-2-3-5-17(14)26-19/h6-8,16H,2-5,9H2,1H3,(H,22,23)