methyl 2-chloranyl-5-[2-(cyanomethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[2-(cyanomethylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 2-chloro-5-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-(cyanomethylthio)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-(cyanomethylthio)acetyl]amino]benzoic acid methyl ester Formula: C12H11ClN2O3S MolecularWeight: 298.74534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CSCC#N)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CSCC#N)Cl

InChI

InChI=1S/C12H11ClN2O3S/c1-18-12(17)9-6-8(2-3-10(9)13)15-11(16)7-19-5-4-14/h2-3,6H,5,7H2,1H3,(H,15,16)