[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3)C

InChI

InChI=1S/C23H28N2O3S/c1-17-6-11-21(14-18(17)2)29-16-23(27)28-15-22(26)24-19-7-9-20(10-8-19)25-12-4-3-5-13-25/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,24,26)