[(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethyl-5-methyl-thiophene-2-carboxylate

Systemtic Name: [(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethyl-5-methyl-thiophene-2-carboxylate Openeye Name: [(1S)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-ethyl-5-methyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-methyl-2-thiophenecarboxylic acid [(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-methyl-thiophene-2-carboxylic acid [(1S)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)O[C@@H](C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C

InChI

InChI=1S/C18H20N2O6S/c1-5-12-8-16(27-11(12)3)18(22)26-10(2)17(21)19-14-7-6-13(20(23)24)9-15(14)25-4/h6-10H,5H2,1-4H3,(H,19,21)/t10-/m0/s1