phenyl N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)carbamate

Systemtic Name: phenyl N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)carbamate Openeye Name: phenyl N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)carbamate CAS Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)carbamic acid phenyl ester IUPAC Name: phenyl N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)carbamate Traditional Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)carbamic acid phenyl ester Formula: C18H16N2O2S2 MolecularWeight: 356.46184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O2S2/c1-11-7-8-13-14(9-11)17(23)24-16(15(13)10-19)20-18(21)22-12-5-3-2-4-6-12/h2-6,11H,7-9H2,1H3,(H,20,21)