(phenylmethyl) 5-cyano-2-methyl-4-(1H-pyrrol-2-yl)-6-sulfanyl-4H-thiopyran-3-carboxylate

Systemtic Name: (phenylmethyl) 5-cyano-2-methyl-4-(1H-pyrrol-2-yl)-6-sulfanyl-4H-thiopyran-3-carboxylate Openeye Name: benzyl 5-cyano-2-methyl-4-(1H-pyrrol-2-yl)-6-sulfanyl-4H-thiopyran-3-carboxylate CAS Name: 5-cyano-6-mercapto-2-methyl-4-(1H-pyrrol-2-yl)-4H-thiopyran-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-cyano-2-methyl-4-(1H-pyrrol-2-yl)-6-sulfanyl-4H-thiopyran-3-carboxylate Traditional Name: 5-cyano-6-mercapto-2-methyl-4-(1H-pyrrol-2-yl)-4H-thiopyran-3-carboxylic acid benzyl ester Formula: C19H16N2O2S2 MolecularWeight: 368.47254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(C(=C(S1)S)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/h2-9,17,21,24H,11H2,1H3