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

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 3-(methoxymethyl)benzoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 3-(methoxymethyl)benzoate CAS Name: 3-(methoxymethyl)benzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate Traditional Name: 3-(methoxymethyl)benzoic 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)C2=CC(=CC=C2)COC)SC

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-13(22)21-17-10-15(7-8-19(17)27-3)18(23)12-26-20(24)16-6-4-5-14(9-16)11-25-2/h4-10H,11-12H2,1-3H3,(H,21,22)