[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5S/c1-9(2)8-17-15(19)10(3)23-16(20)14-7-11-6-12(18(21)22)4-5-13(11)24-14/h4-7,9-10H,8H2,1-3H3,(H,17,19)/t10-/m0/s1