(2-azanyl-2-oxidanylidene-ethyl) 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid (2-amino-2-keto-ethyl) ester Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)N

InChI

InChI=1S/C11H13NO4S/c1-15-9-5-7(17-2)3-4-8(9)11(14)16-6-10(12)13/h3-5H,6H2,1-2H3,(H2,12,13)