[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate

Systemtic Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[(3-nitrophenyl)-oxomethyl]amino]butanoic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(3-nitrobenzoyl)amino]butyric acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl] ester Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)N1CCCC2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)OCC(=O)N1CCCC2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O6S/c1-33-13-11-19(24-22(28)17-7-4-9-18(14-17)26(30)31)23(29)32-15-21(27)25-12-5-8-16-6-2-3-10-20(16)25/h2-4,6-7,9-10,14,19H,5,8,11-13,15H2,1H3,(H,24,28)