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

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic 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] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic 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)CCSC2=CC=C(C=C2)Cl)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CCSC2=CC=C(C=C2)Cl)C(=O)C3=CC=CS3

InChI

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