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

Systemtic Name: prop-2-enyl (4R)-6-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4R)-6-[2-(3-chloroanilino)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxylate CAS Name: (4R)-6-[[2-(3-chloroanilino)-2-oxoethyl]thio]-5-cyano-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R)-6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-6-[[2-(3-chloroanilino)-2-keto-ethyl]thio]-5-cyano-2-methyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C23H20ClN3O3S2 MolecularWeight: 486.0062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OCC=C)C2=CC=CS2)C#N)SCC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OCC=C)C2=CC=CS2)C#N)SCC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H20ClN3O3S2/c1-3-9-30-23(29)20-14(2)26-22(17(12-25)21(20)18-8-5-10-31-18)32-13-19(28)27-16-7-4-6-15(24)11-16/h3-8,10-11,20-21H,1,9,13H2,2H3,(H,27,28)/t20?,21-/m1/s1