[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CS2

InChI

InChI=1S/C18H19N3O6S/c1-11(2)16(20-17(23)14-8-5-9-28-14)18(24)27-10-15(22)19-12-6-3-4-7-13(12)21(25)26/h3-9,11,16H,10H2,1-2H3,(H,19,22)(H,20,23)