[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methoxyphenyl)carbonylamino]propanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methoxyphenyl)carbonylamino]propanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3-[(2-methoxybenzoyl)amino]propanoate CAS Name: 3-[[(2-methoxyphenyl)-oxomethyl]amino]propanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate Traditional Name: 3-(o-anisoylamino)propionic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C20H22N2O5S/c1-26-16-9-5-3-7-14(16)20(25)21-12-11-19(24)27-13-18(23)22-15-8-4-6-10-17(15)28-2/h3-10H,11-13H2,1-2H3,(H,21,25)(H,22,23)