N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-phenoxy-ethanamide

Systemtic Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-phenoxy-ethanamide Openeye Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-phenoxy-acetamide CAS Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-2-phenoxyacetamide IUPAC Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-phenoxyacetamide Traditional Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-phenoxy-acetamide Formula: C19H18N2O2S2 MolecularWeight: 370.48842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O2S2/c1-12-7-8-14-15(9-12)19(24)25-18(16(14)10-20)21-17(22)11-23-13-5-3-2-4-6-13/h2-6,12H,7-9,11H2,1H3,(H,21,22)