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

Systemtic Name: 2-ethylsulfanylethyl (4S)-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S)-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: (4S)-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S)-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: (4S)-2-keto-6-methyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC(=O)CC1C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC(=O)C[C@H]1C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H20N2O5S/c1-3-25-8-7-24-17(21)16-11(2)18-15(20)10-14(16)12-5-4-6-13(9-12)19(22)23/h4-6,9,14H,3,7-8,10H2,1-2H3,(H,18,20)/t14-/m0/s1