(phenylmethyl) (4R)-3-cyano-6-methyl-4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydrothiopyran-5-carboxylate

Systemtic Name: (phenylmethyl) (4R)-3-cyano-6-methyl-4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydrothiopyran-5-carboxylate Openeye Name: benzyl (4R)-3-cyano-6-methyl-4-(1H-pyrrol-2-yl)-2-thioxo-3,4-dihydrothiopyran-5-carboxylate CAS Name: (4R)-3-cyano-6-methyl-4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydrothiopyran-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-3-cyano-6-methyl-4-(1H-pyrrol-2-yl)-2-sulfanylidene-3,4-dihydrothiopyran-5-carboxylate Traditional Name: (4R)-3-cyano-6-methyl-4-(1H-pyrrol-2-yl)-2-thioxo-3,4-dihydrothiopyran-5-carboxylic acid benzyl ester Formula: C19H16N2O2S2 MolecularWeight: 368.47254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(C(=S)S1)C#N)C2=CC=CN2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@@H](C(C(=S)S1)C#N)C2=CC=CN2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H16N2O2S2/c1-12-16(18(22)23-11-13-6-3-2-4-7-13)17(15-8-5-9-21-15)14(10-20)19(24)25-12/h2-9,14,17,21H,11H2,1H3/t14?,17-/m0/s1