[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3-ethoxy-4-isobutoxy-benzoate CAS Name: 3-ethoxy-4-(2-methylpropoxy)benzoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-ethoxy-4-isobutoxy-benzoic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC)OCC(C)C

InChI

InChI=1S/C22H27NO5S/c1-5-26-19-12-16(10-11-18(19)27-13-15(2)3)22(25)28-14-21(24)23-17-8-6-7-9-20(17)29-4/h6-12,15H,5,13-14H2,1-4H3,(H,23,24)