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

Systemtic Name: prop-2-enyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-propoxy-ethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-chlorophenyl)-5-cyano-2-methyl-6-[(2-oxo-2-propoxyethyl)thio]-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-propoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-5-cyano-6-[(2-keto-2-propoxy-ethyl)thio]-2-methyl-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC=CC=C2Cl)C#N

Isomeric SMILES

CCCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC=CC=C2Cl)C#N

InChI

InChI=1S/C22H23ClN2O4S/c1-4-10-28-18(26)13-30-21-16(12-24)20(15-8-6-7-9-17(15)23)19(14(3)25-21)22(27)29-11-5-2/h5-9,20,25H,2,4,10-11,13H2,1,3H3