[4-(4-ethanoylpiperazin-1-yl)phenyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C21H24N2O3S/c1-15(24)22-10-12-23(13-11-22)17-6-8-18(9-7-17)26-21(25)20-14-16-4-2-3-5-19(16)27-20/h6-9,14H,2-5,10-13H2,1H3