[(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [(1R)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [(1R)-2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C17H16N2O6S/c1-11(17(22)18-12-4-2-5-13(10-12)19(23)24)25-16(21)8-7-14(20)15-6-3-9-26-15/h2-6,9-11H,7-8H2,1H3,(H,18,22)/t11-/m1/s1