N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,6-dimethyl-1-oxo-isochromane-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-keto-3,6-dimethyl-isochroman-3-carboxamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-12-7-8-14-13(9-12)10-21(2,26-19(14)24)20(25)23-18-16(11-22)15-5-3-4-6-17(15)27-18/h7-9H,3-6,10H2,1-2H3,(H,23,25)