dimethyl 4-(3-chlorophenyl)-2-methyl-6-(methylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate; pyridine-3-carboxamide

Systemtic Name: dimethyl 4-(3-chlorophenyl)-2-methyl-6-(methylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate; pyridine-3-carboxamide Openeye Name: dimethyl 4-(3-chlorophenyl)-2-methyl-6-(methylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate; pyridine-3-carboxamide CAS Name: 4-(3-chlorophenyl)-2-methyl-6-[(methylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester; 3-pyridinecarboxamide IUPAC Name: dimethyl 4-(3-chlorophenyl)-2-methyl-6-(methylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate; pyridine-3-carboxamide Traditional Name: 4-(3-chlorophenyl)-2-methyl-6-[(methylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester; nicotinamide Formula: C24H26ClN3O5S MolecularWeight: 503.99834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CSC)C(=O)OC)C2=CC(=CC=C2)Cl)C(=O)OC.C1=CC(=CN=C1)C(=O)N

Isomeric SMILES

CC1=C(C(C(=C(N1)CSC)C(=O)OC)C2=CC(=CC=C2)Cl)C(=O)OC.C1=CC(=CN=C1)C(=O)N

InChI

InChI=1S/C18H20ClNO4S.C6H6N2O/c1-10-14(17(21)23-2)15(11-6-5-7-12(19)8-11)16(18(22)24-3)13(20-10)9-25-4;7-6(9)5-2-1-3-8-4-5/h5-8,15,20H,9H2,1-4H3;1-4H,(H2,7,9)