ethyl 6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C29H22BrClN2O3S MolecularWeight: 593.91858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C29H22BrClN2O3S/c1-2-36-29(35)26-25(21-10-6-7-11-23(21)31)22(16-32)28(33-27(26)19-8-4-3-5-9-19)37-17-24(34)18-12-14-20(30)15-13-18/h3-15,25,33H,2,17H2,1H3