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

Systemtic Name: [2-[[2-[(2R)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-[2-[(1R)-1-methylpropyl]anilino]-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-keto-2-[2-[(1R)-1-methylpropyl]anilino]ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@@H](C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O5S/c1-3-13(2)16-6-4-5-7-17(16)22-20(24)12-28-21(25)19-11-14-10-15(23(26)27)8-9-18(14)29-19/h4-11,13H,3,12H2,1-2H3,(H,22,24)/t13-/m1/s1