[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-diacetamidobenzoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-diacetamidobenzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 3,5-diacetamidobenzoate CAS Name: 3,5-diacetamidobenzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 3,5-diacetamidobenzoate Traditional Name: 3,5-diacetamidobenzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC)NC(=O)C

InChI

InChI=1S/C20H21N3O5S/c1-12(24)21-16-7-14(8-17(9-16)22-13(2)25)20(27)28-11-19(26)23-15-5-4-6-18(10-15)29-3/h4-10H,11H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)