methyl 2-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-yl]-2-(4-chlorophenyl)ethanoate

Systemtic Name: methyl 2-[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-yl]-2-(4-chlorophenyl)ethanoate Openeye Name: methyl 2-[4-(benzothiophene-2-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate CAS Name: 2-[4-[1-benzothiophen-2-yl(oxo)methyl]-1-piperazinyl]-2-(4-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate Traditional Name: 2-[4-(benzothiophene-2-carbonyl)piperazino]-2-(4-chlorophenyl)acetic acid methyl ester Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H21ClN2O3S/c1-28-22(27)20(15-6-8-17(23)9-7-15)24-10-12-25(13-11-24)21(26)19-14-16-4-2-3-5-18(16)29-19/h2-9,14,20H,10-13H2,1H3