diethyl 2-(3-chloranyl-3-pyridin-3-yl-propyl)-6-methyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-(3-chloranyl-3-pyridin-3-yl-propyl)-6-methyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[3-chloro-3-(3-pyridyl)propyl]-6-methyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[3-chloro-3-(3-pyridinyl)propyl]-6-methyl-4-[3-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(3-chloro-3-pyridin-3-ylpropyl)-6-methyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[3-chloro-3-(3-pyridyl)propyl]-6-methyl-4-[3-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C27H31ClN2O4S MolecularWeight: 515.06404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)SC)C(=O)OCC)CCC(C3=CN=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)SC)C(=O)OCC)CCC(C3=CN=CC=C3)Cl)C

InChI

InChI=1S/C27H31ClN2O4S/c1-5-33-26(31)23-17(3)30-22(13-12-21(28)19-10-8-14-29-16-19)25(27(32)34-6-2)24(23)18-9-7-11-20(15-18)35-4/h7-11,14-16,21,24,30H,5-6,12-13H2,1-4H3