diethyl 2-methyl-4-(3-nitrophenyl)-6-[(3-oxidanylidene-1-phenyl-propyl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-[(3-oxidanylidene-1-phenyl-propyl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-[(3-oxo-1-phenyl-propyl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-(3-nitrophenyl)-6-[[(3-oxo-1-phenylpropyl)thio]methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-[(3-oxo-1-phenylpropyl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[(3-keto-1-phenyl-propyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C28H30N2O7S MolecularWeight: 538.612

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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)CSC(CC=O)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O7S/c1-4-36-27(32)24-18(3)29-22(17-38-23(14-15-31)19-10-7-6-8-11-19)26(28(33)37-5-2)25(24)20-12-9-13-21(16-20)30(34)35/h6-13,15-16,23,25,29H,4-5,14,17H2,1-3H3