ethyl (4S)-4-(4-bromophenyl)-5-cyano-6-(2-cyclopropyl-2-oxidanylidene-ethyl)sulfanyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: ethyl (4S)-4-(4-bromophenyl)-5-cyano-6-(2-cyclopropyl-2-oxidanylidene-ethyl)sulfanyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: ethyl (4S)-4-(4-bromophenyl)-5-cyano-6-(2-cyclopropyl-2-oxo-ethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (4S)-4-(4-bromophenyl)-5-cyano-6-[(2-cyclopropyl-2-oxoethyl)thio]-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-bromophenyl)-5-cyano-6-(2-cyclopropyl-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (4S)-4-(4-bromophenyl)-5-cyano-6-[(2-cyclopropyl-2-keto-ethyl)thio]-2-keto-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester Formula: C20H19BrN2O4S MolecularWeight: 463.34486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(NC1=O)SCC(=O)C2CC2)C#N)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1[C@H](C(=C(NC1=O)SCC(=O)C2CC2)C#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN2O4S/c1-2-27-20(26)17-16(12-5-7-13(21)8-6-12)14(9-22)19(23-18(17)25)28-10-15(24)11-3-4-11/h5-8,11,16-17H,2-4,10H2,1H3,(H,23,25)/t16-,17?/m0/s1