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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxidanylidene-isochromene-3-carboxamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-oxo-isochromene-3-carboxamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-2-benzopyran-3-carboxamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxoisochromene-3-carboxamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-keto-isochromene-3-carboxamide Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H18N2O3S/c1-2-12-7-8-15-16(11-22)20(27-18(15)9-12)23-19(24)17-10-13-5-3-4-6-14(13)21(25)26-17/h3-6,10,12H,2,7-9H2,1H3,(H,23,24)