O5-ethyl O3-methyl 2-methyl-4-(3-nitrophenyl)-6-[(2-oxidanylidene-3-phenyl-propyl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 2-methyl-4-(3-nitrophenyl)-6-[(2-oxidanylidene-3-phenyl-propyl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2-methyl-4-(3-nitrophenyl)-6-[(2-oxo-3-phenyl-propyl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-(3-nitrophenyl)-6-[[(2-oxo-3-phenylpropyl)thio]methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2-methyl-4-(3-nitrophenyl)-6-[(2-oxo-3-phenylpropyl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[(2-keto-3-phenyl-propyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C27H28N2O7S MolecularWeight: 524.58542

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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)OC)C)CSCC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CSCC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O7S/c1-4-36-27(32)25-22(16-37-15-21(30)13-18-9-6-5-7-10-18)28-17(2)23(26(31)35-3)24(25)19-11-8-12-20(14-19)29(33)34/h5-12,14,24,28H,4,13,15-16H2,1-3H3