3-[2-(cyanomethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 3-[2-(cyanomethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3-[[2-(cyanomethylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(cyanomethylthio)acetyl]amino]benzoic acid Formula: C11H10N2O3S MolecularWeight: 250.2737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O3S/c12-4-5-17-7-10(14)13-9-3-1-2-8(6-9)11(15)16/h1-3,6H,5,7H2,(H,13,14)(H,15,16)