4-[2-(cyanomethylsulfanyl)ethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[2-(cyanomethylsulfanyl)ethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[2-(cyanomethylsulfanyl)acetyl]amino]-2-hydroxy-benzoic acid CAS Name: 4-[[2-(cyanomethylthio)-1-oxoethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[[2-(cyanomethylsulfanyl)acetyl]amino]-2-hydroxybenzoic acid Traditional Name: 4-[[2-(cyanomethylthio)acetyl]amino]-2-hydroxy-benzoic acid Formula: C11H10N2O4S MolecularWeight: 266.2731

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSCC#N)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSCC#N)O)C(=O)O

InChI

InChI=1S/C11H10N2O4S/c12-3-4-18-6-10(15)13-7-1-2-8(11(16)17)9(14)5-7/h1-2,5,14H,4,6H2,(H,13,15)(H,16,17)