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

Systemtic Name: prop-2-enyl 6-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 6-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C25H21ClN2O3S MolecularWeight: 464.96384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN2O3S/c1-3-13-31-25(30)22-16(2)28-24(20(14-27)23(22)18-7-5-4-6-8-18)32-15-21(29)17-9-11-19(26)12-10-17/h3-12,23,28H,1,13,15H2,2H3