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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-ethyl-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-ethyl-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-ethyl-3-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-ethyl-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-ethyl-1-keto-3-methyl-isochroman-3-carboxamide Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S/c1-3-13-8-9-15-14(10-13)11-22(2,27-20(15)25)21(26)24-19-17(12-23)16-6-4-5-7-18(16)28-19/h8-10H,3-7,11H2,1-2H3,(H,24,26)