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

Systemtic Name: 2-ethylsulfanylethyl (4R)-2-methyl-4-(3-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R)-5-keto-2-methyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-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)C1C(C2=C(CCCC2=O)N=C1C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCSCCOC(=O)C1[C@@H](C2=C(CCCC2=O)N=C1C)C3=CC(=CC=C3)[N+](=O)[O-]

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/h4,6-7,12,18-19H,3,5,8-11H2,1-2H3/t18?,19-/m0/s1