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

Systemtic Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-(2-phenoxyethanoylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-[(2-phenoxyacetyl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-(3-nitrophenyl)-6-[[(1-oxo-2-phenoxyethyl)thio]methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-[(2-phenoxyacetyl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-(3-nitrophenyl)-6-[[(2-phenoxyacetyl)thio]methyl]-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)CSC(=O)COC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSC(=O)COC3=CC=CC=C3)C

InChI

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