[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 2-[(3-chlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 2-[(3-chlorophenyl)methylsulfanyl]ethanoate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-[(3-chlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(3-chlorophenyl)methylthio]acetic acid [2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-[(3-chlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(3-chlorobenzyl)thio]acetic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C20H21ClN2O4S2 MolecularWeight: 452.97474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)CSCC2=CC(=CC=C2)Cl)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CSCC2=CC(=CC=C2)Cl)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H21ClN2O4S2/c21-16-4-1-3-15(11-16)13-28-14-19(25)27-12-18(24)22-6-8-23(9-7-22)20(26)17-5-2-10-29-17/h1-5,10-11H,6-9,12-14H2