5-chloranyl-4-[2-(cyanomethylsulfanyl)ethanoylamino]-2-methoxy-benzoic acid

Systemtic Name: 5-chloranyl-4-[2-(cyanomethylsulfanyl)ethanoylamino]-2-methoxy-benzoic acid Openeye Name: 5-chloro-4-[[2-(cyanomethylsulfanyl)acetyl]amino]-2-methoxy-benzoic acid CAS Name: 5-chloro-4-[[2-(cyanomethylthio)-1-oxoethyl]amino]-2-methoxybenzoic acid IUPAC Name: 5-chloro-4-[[2-(cyanomethylsulfanyl)acetyl]amino]-2-methoxybenzoic acid Traditional Name: 5-chloro-4-[[2-(cyanomethylthio)acetyl]amino]-2-methoxy-benzoic acid Formula: C12H11ClN2O4S MolecularWeight: 314.74474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)CSCC#N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)CSCC#N

InChI

InChI=1S/C12H11ClN2O4S/c1-19-10-5-9(8(13)4-7(10)12(17)18)15-11(16)6-20-3-2-14/h4-5H,3,6H2,1H3,(H,15,16)(H,17,18)