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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxidanylidene-isothiochromene-3-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-oxo-isothiochromene-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-2-benzothiopyran-3-carboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxoisothiochromene-3-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-keto-isothiochromene-3-carboxamide Formula: C19H14N2O2S2 MolecularWeight: 366.45666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC4=CC=CC=C4C(=O)S3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC4=CC=CC=C4C(=O)S3)C#N

InChI

InChI=1S/C19H14N2O2S2/c20-10-14-13-7-3-4-8-15(13)24-18(14)21-17(22)16-9-11-5-1-2-6-12(11)19(23)25-16/h1-2,5-6,9H,3-4,7-8H2,(H,21,22)