[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-[4-(2-thienylmethyl)piperazin-1-yl]ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-keto-2-[4-(2-thenyl)piperazino]ethyl] ester Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S2/c24-19(22-7-5-21(6-8-22)12-16-2-1-9-29-16)13-28-20(25)18-11-14-10-15(23(26)27)3-4-17(14)30-18/h1-4,9-11H,5-8,12-13H2