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

Systemtic Name: diethyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)sulfanylmethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[(2-ethoxy-2-oxo-ethyl)sulfanylmethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[(2-ethoxy-2-oxoethyl)thio]methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(2-ethoxy-2-oxoethyl)sulfanylmethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[(2-ethoxy-2-keto-ethyl)thio]methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C22H26N2O8S MolecularWeight: 478.51544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=C(C(C(=CN1)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)CSCC1=C(C(C(=CN1)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C22H26N2O8S/c1-4-30-18(25)13-33-12-17-20(22(27)32-6-3)19(16(11-23-17)21(26)31-5-2)14-8-7-9-15(10-14)24(28)29/h7-11,19,23H,4-6,12-13H2,1-3H3