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

Systemtic Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-(phenethylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-(phenethylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-(3-nitrophenyl)-6-[(phenethylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-(phenethylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-(3-nitrophenyl)-6-[(phenethylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C27H30N2O6S MolecularWeight: 510.6019

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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)CSCCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSCCC3=CC=CC=C3)C

InChI

InChI=1S/C27H30N2O6S/c1-4-34-26(30)23-18(3)28-22(17-36-15-14-19-10-7-6-8-11-19)25(27(31)35-5-2)24(23)20-12-9-13-21(16-20)29(32)33/h6-13,16,24,28H,4-5,14-15,17H2,1-3H3