3-ethyl-4-(4-phenethylpiperazin-1-yl)-1-benzothiophene-2-carboxylate

Systemtic Name: 3-ethyl-4-(4-phenethylpiperazin-1-yl)-1-benzothiophene-2-carboxylate Openeye Name: 3-ethyl-4-(4-phenethylpiperazin-1-yl)benzothiophene-2-carboxylate CAS Name: 3-ethyl-4-(4-phenethyl-1-piperazinyl)-1-benzothiophene-2-carboxylate IUPAC Name: 3-ethyl-4-(4-phenethylpiperazin-1-yl)-1-benzothiophene-2-carboxylate Traditional Name: 3-ethyl-4-(4-phenethylpiperazino)benzothiophene-2-carboxylate Formula: C23H25N2O2S- MolecularWeight: 393.5218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=CC=CC(=C21)N3CCN(CC3)CCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CCC1=C(SC2=CC=CC(=C21)N3CCN(CC3)CCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C23H26N2O2S/c1-2-18-21-19(9-6-10-20(21)28-22(18)23(26)27)25-15-13-24(14-16-25)12-11-17-7-4-3-5-8-17/h3-10H,2,11-16H2,1H3,(H,26,27)/p-1