[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C18H14N2O5S MolecularWeight: 370.37916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O5S/c1-11(17(21)19-13-5-3-2-4-6-13)25-18(22)16-10-12-9-14(20(23)24)7-8-15(12)26-16/h2-11H,1H3,(H,19,21)/t11-/m1/s1