methyl 4-acetamido-3-(2-ethoxy-1-methylsulfanyl-2-oxidanylidene-ethyl)benzoate

Systemtic Name: methyl 4-acetamido-3-(2-ethoxy-1-methylsulfanyl-2-oxidanylidene-ethyl)benzoate Openeye Name: methyl 4-acetamido-3-(2-ethoxy-1-methylsulfanyl-2-oxo-ethyl)benzoate CAS Name: 4-acetamido-3-[2-ethoxy-1-(methylthio)-2-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 4-acetamido-3-(2-ethoxy-1-methylsulfanyl-2-oxoethyl)benzoate Traditional Name: 4-acetamido-3-[2-ethoxy-2-keto-1-(methylthio)ethyl]benzoic acid methyl ester Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=CC(=C1)C(=O)OC)NC(=O)C)SC

Isomeric SMILES

CCOC(=O)C(C1=C(C=CC(=C1)C(=O)OC)NC(=O)C)SC

InChI

InChI=1S/C15H19NO5S/c1-5-21-15(19)13(22-4)11-8-10(14(18)20-3)6-7-12(11)16-9(2)17/h6-8,13H,5H2,1-4H3,(H,16,17)