[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate

Systemtic Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate Openeye Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N2O4S/c1-3-29-20-7-5-4-6-19(20)22(26)28-16-21(25)24-14-12-23(13-15-24)17-8-10-18(27-2)11-9-17/h4-11H,3,12-16H2,1-2H3