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

Systemtic Name: diethyl 2-[1-(hydroxymethylsulfanyl)-2-methoxy-2-oxidanylidene-ethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[1-(hydroxymethylsulfanyl)-2-methoxy-2-oxo-ethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[1-(hydroxymethylthio)-2-methoxy-2-oxoethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[1-(hydroxymethylsulfanyl)-2-methoxy-2-oxoethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[2-keto-2-methoxy-1-(methylolthio)ethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C22H26N2O9S MolecularWeight: 494.51484

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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)C(C(=O)OC)SCO)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O9S/c1-5-32-20(26)15-12(3)23-18(19(34-11-25)22(28)31-4)17(21(27)33-6-2)16(15)13-8-7-9-14(10-13)24(29)30/h7-10,16,19,23,25H,5-6,11H2,1-4H3