[2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-keto-2-(methylcarbamoylamino)ethyl] ester Formula: C12H13ClN2O4S MolecularWeight: 316.76062

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)SC)Cl

Isomeric SMILES

CNC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)SC)Cl

InChI

InChI=1S/C12H13ClN2O4S/c1-14-12(18)15-10(16)6-19-11(17)8-5-7(20-2)3-4-9(8)13/h3-5H,6H2,1-2H3,(H2,14,15,16,18)