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

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C13H14ClNO5S MolecularWeight: 331.77196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO5S/c1-3-19-13(18)15-11(16)7-20-12(17)9-6-8(21-2)4-5-10(9)14/h4-6H,3,7H2,1-2H3,(H,15,16,18)