ethyl 4-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]-1-benzothiophene-2-carboxylate hydrochloride

Systemtic Name: ethyl 4-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]-1-benzothiophene-2-carboxylate hydrochloride Openeye Name: ethyl 4-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]benzothiophene-2-carboxylate hydrochloride CAS Name: 4-[4-[2-(4-nitrophenyl)ethyl]-1-piperazinyl]-1-benzothiophene-2-carboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]-1-benzothiophene-2-carboxylate hydrochloride Traditional Name: 4-[4-[2-(4-nitrophenyl)ethyl]piperazino]benzothiophene-2-carboxylic acid ethyl ester hydrochloride Formula: C23H26ClN3O4S MolecularWeight: 475.98824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=CC=C2S1)N3CCN(CC3)CCC4=CC=C(C=C4)[N+](=O)[O-].Cl

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=CC=C2S1)N3CCN(CC3)CCC4=CC=C(C=C4)[N+](=O)[O-].Cl

InChI

InChI=1S/C23H25N3O4S.ClH/c1-2-30-23(27)22-16-19-20(4-3-5-21(19)31-22)25-14-12-24(13-15-25)11-10-17-6-8-18(9-7-17)26(28)29;/h3-9,16H,2,10-15H2,1H3;1H