[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid [2-keto-2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethyl] ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCCC2=C1C=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)N1CCCC2=C1C=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H23N3O6S/c1-13(2)19(22-20(26)17-6-4-10-31-17)21(27)30-12-18(25)23-9-3-5-14-11-15(24(28)29)7-8-16(14)23/h4,6-8,10-11,13,19H,3,5,9,12H2,1-2H3,(H,22,26)