(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (2-keto-1-methyl-2-pyrrolidino-ethyl) ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCC1)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5S/c1-10(15(19)17-6-2-3-7-17)23-16(20)14-9-11-8-12(18(21)22)4-5-13(11)24-14/h4-5,8-10H,2-3,6-7H2,1H3