ethyl 4-(3-chlorophenyl)-5-cyano-2-(2-formamidoethylsulfanylmethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 4-(3-chlorophenyl)-5-cyano-2-(2-formamidoethylsulfanylmethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 4-(3-chlorophenyl)-5-cyano-2-(2-formamidoethylsulfanylmethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(3-chlorophenyl)-5-cyano-2-[(2-formamidoethylthio)methyl]-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chlorophenyl)-5-cyano-2-(2-formamidoethylsulfanylmethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(3-chlorophenyl)-5-cyano-2-[(2-formamidoethylthio)methyl]-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C#N)C)CSCCNC=O

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C#N)C)CSCCNC=O

InChI

InChI=1S/C20H22ClN3O3S/c1-3-27-20(26)19-17(11-28-8-7-23-12-25)24-13(2)16(10-22)18(19)14-5-4-6-15(21)9-14/h4-6,9,12,18,24H,3,7-8,11H2,1-2H3,(H,23,25)