2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[2-(cyanomethylthio)benzoyl]amino]-3-hydroxy-propionic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(CO)C(=O)O)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(CO)C(=O)O)SCC#N

InChI

InChI=1S/C12H12N2O4S/c13-5-6-19-10-4-2-1-3-8(10)11(16)14-9(7-15)12(17)18/h1-4,9,15H,6-7H2,(H,14,16)(H,17,18)