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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-keto-3-phenyl-isochroman-6-carboxamide Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C25H20N2O3S/c26-14-20-19-8-4-5-9-22(19)31-24(20)27-23(28)16-10-11-18-17(12-16)13-21(30-25(18)29)15-6-2-1-3-7-15/h1-3,6-7,10-12,21H,4-5,8-9,13H2,(H,27,28)