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

Systemtic Name: prop-2-enyl 6-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 6-[2-(3-chloroanilino)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[[2-(3-chloroanilino)-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-(3-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[[2-(3-chloroanilino)-2-keto-ethyl]thio]-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=CC=C2)Cl)C#N)C3=CC=CC=C3)C(=O)OCC=C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=CC=C2)Cl)C#N)C3=CC=CC=C3)C(=O)OCC=C

InChI

InChI=1S/C25H22ClN3O3S/c1-3-12-32-25(31)22-16(2)28-24(20(14-27)23(22)17-8-5-4-6-9-17)33-15-21(30)29-19-11-7-10-18(26)13-19/h3-11,13,23,28H,1,12,15H2,2H3,(H,29,30)