[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 3-phenoxypropanoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 3-phenoxypropanoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 3-phenoxypropanoate CAS Name: 3-phenoxypropanoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 3-phenoxypropanoate Traditional Name: 3-phenoxypropionic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)CCOC2=CC=CC=C2)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)CCOC2=CC=CC=C2)SC

InChI

InChI=1S/C20H21NO5S/c1-14(22)21-17-12-15(8-9-19(17)27-2)18(23)13-26-20(24)10-11-25-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,22)