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

Systemtic Name: ethyl 6-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-5-cyano-2-phenyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[[2-(4-bromoanilino)-2-oxoethyl]thio]-5-cyano-4-(4-methylphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-5-cyano-2-phenyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C30H26BrN3O3S MolecularWeight: 588.51474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C)C#N)SCC(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C)C#N)SCC(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C30H26BrN3O3S/c1-3-37-30(36)27-26(20-11-9-19(2)10-12-20)24(17-32)29(34-28(27)21-7-5-4-6-8-21)38-18-25(35)33-23-15-13-22(31)14-16-23/h4-16,26,34H,3,18H2,1-2H3,(H,33,35)