[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate

Systemtic Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate Openeye Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl] ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C23H28N2O3S/c1-4-29-21-11-6-5-9-19(21)23(27)28-16-22(26)25-14-12-24(13-15-25)20-10-7-8-17(2)18(20)3/h5-11H,4,12-16H2,1-3H3