2-methylsulfanylethyl 6-methyl-4-(2-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: 2-methylsulfanylethyl 6-methyl-4-(2-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: 2-methylsulfanylethyl 6-methyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: 6-methyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl 6-methyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-(2-nitrophenyl)-3,4-dihydro-1H-pyridine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(=O)N1)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCSC

Isomeric SMILES

CC1=C(C(CC(=O)N1)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCSC

InChI

InChI=1S/C16H18N2O5S/c1-10-15(16(20)23-7-8-24-2)12(9-14(19)17-10)11-5-3-4-6-13(11)18(21)22/h3-6,12H,7-9H2,1-2H3,(H,17,19)