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

Systemtic Name: tert-butyl 4-(4-chlorophenyl)-5-cyano-6-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl 4-(4-chlorophenyl)-5-cyano-6-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-cyano-6-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-2-methyl-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-chlorophenyl)-5-cyano-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-cyano-6-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-2-methyl-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C27H27ClN2O4S MolecularWeight: 511.03228

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H27ClN2O4S/c1-16-23(26(32)34-27(2,3)4)24(18-6-10-19(28)11-7-18)21(14-29)25(30-16)35-15-22(31)17-8-12-20(33-5)13-9-17/h6-13,24,30H,15H2,1-5H3