propan-2-yl 6-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: propan-2-yl 6-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: isopropyl 6-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-5-cyano-4-(4-isopropylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[[2-(4-bromoanilino)-2-oxoethyl]thio]-5-cyano-2-methyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-5-cyano-2-methyl-4-p-cumenyl-1,4-dihydropyridine-3-carboxylic acid isopropyl ester Formula: C28H30BrN3O3S MolecularWeight: 568.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=C(C=C3)C(C)C)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=C(C=C3)C(C)C)C(=O)OC(C)C

InChI

InChI=1S/C28H30BrN3O3S/c1-16(2)19-6-8-20(9-7-19)26-23(14-30)27(31-18(5)25(26)28(34)35-17(3)4)36-15-24(33)32-22-12-10-21(29)11-13-22/h6-13,16-17,26,31H,15H2,1-5H3,(H,32,33)