dimethyl (4R)-4-(4-methylsulfanylphenyl)-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl (4R)-4-(4-methylsulfanylphenyl)-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl (4R)-4-(4-methylsulfanylphenyl)-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4R)-4-[4-(methylthio)phenyl]-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4R)-4-(4-methylsulfanylphenyl)-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4R)-4-[4-(methylthio)phenyl]-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C=NC=C(C1C2=CC=C(C=C2)SC)C(=O)OC

Isomeric SMILES

COC(=O)C1C=NC=C([C@H]1C2=CC=C(C=C2)SC)C(=O)OC

InChI

InChI=1S/C16H17NO4S/c1-20-15(18)12-8-17-9-13(16(19)21-2)14(12)10-4-6-11(22-3)7-5-10/h4-9,12,14H,1-3H3/t12?,14-/m0/s1