[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)O[C@H](C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c1-11-7-9-16(27-11)15(21)8-10-17(22)26-12(2)18(23)19-13-5-3-4-6-14(13)20(24)25/h3-7,9,12H,8,10H2,1-2H3,(H,19,23)/t12-/m1/s1