2-ethylsulfanylethyl (4S)-2-methyl-4-(3-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S)-2-methyl-4-(3-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CCC2)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CCC2)C

InChI

InChI=1S/C21H24N2O5S/c1-3-29-11-10-28-21(25)18-13(2)22-16-8-5-9-17(24)20(16)19(18)14-6-4-7-15(12-14)23(26)27/h4,6-7,12,19,22H,3,5,8-11H2,1-2H3/t19-/m1/s1