diethyl 2-methyl-4-(3-nitrophenyl)-6-(phenylcarbonyloxymethylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-(phenylcarbonyloxymethylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(benzoyloxymethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(benzoyloxymethylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(benzoyloxymethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(benzoyloxymethylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C27H28N2O8S MolecularWeight: 540.58482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSCOC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSCOC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C27H28N2O8S/c1-4-35-26(31)22-17(3)28-21(15-38-16-37-25(30)18-10-7-6-8-11-18)24(27(32)36-5-2)23(22)19-12-9-13-20(14-19)29(33)34/h6-14,23,28H,4-5,15-16H2,1-3H3