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

Systemtic Name: tert-butyl 6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl 6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C26H24BrClN2O3S MolecularWeight: 559.90236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24BrClN2O3S/c1-15-22(25(32)33-26(2,3)4)23(17-7-11-19(28)12-8-17)20(13-29)24(30-15)34-14-21(31)16-5-9-18(27)10-6-16/h5-12,23,30H,14H2,1-4H3