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

Systemtic Name: prop-2-enyl 6-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 6-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[[2-(3-chloro-2-methylanilino)-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-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]thio]-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C26H24ClN3O3S MolecularWeight: 494.00506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=CC=C3)C#N

InChI

InChI=1S/C26H24ClN3O3S/c1-4-13-33-26(32)23-17(3)29-25(19(14-28)24(23)18-9-6-5-7-10-18)34-15-22(31)30-21-12-8-11-20(27)16(21)2/h4-12,24,29H,1,13,15H2,2-3H3,(H,30,31)