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

Systemtic Name: diethyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[(2-ethoxy-2-oxo-ethyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[(2-ethoxy-2-oxoethyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(2-ethoxy-2-oxoethyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[(2-ethoxy-2-keto-ethyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C23H28N2O8S MolecularWeight: 492.54202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=C(C(C(=C(N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)CSCC1=C(C(C(=C(N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C23H28N2O8S/c1-5-31-18(26)13-34-12-17-21(23(28)33-7-3)20(15-9-8-10-16(11-15)25(29)30)19(14(4)24-17)22(27)32-6-2/h8-11,20,24H,5-7,12-13H2,1-4H3