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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

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