[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 3-ethoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]benzoate CAS Name: 3-ethoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]benzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate Traditional Name: 3-ethoxy-4-(2-keto-2-piperidino-ethoxy)benzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)SC)OCC(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)SC)OCC(=O)N3CCCCC3

InChI

InChI=1S/C25H29NO6S/c1-3-30-23-15-19(9-12-22(23)31-17-24(28)26-13-5-4-6-14-26)25(29)32-16-21(27)18-7-10-20(33-2)11-8-18/h7-12,15H,3-6,13-14,16-17H2,1-2H3