[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl] ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-28-16-8-6-15(7-9-16)24-10-12-25(13-11-24)19(26)14-29-22(27)21-20(23)17-4-2-3-5-18(17)30-21/h2-9H,10-14H2,1H3