[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O5S/c1-14(7-8-15-5-3-2-4-6-15)22-20(24)13-28-21(25)19-12-16-11-17(23(26)27)9-10-18(16)29-19/h2-6,9-12,14H,7-8,13H2,1H3,(H,22,24)/t14-/m1/s1