2-[2-(cyanomethylsulfanyl)ethanoylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[2-(cyanomethylsulfanyl)ethanoylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-(cyanomethylthio)-1-oxoethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[2-(cyanomethylthio)acetyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CSCC#N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CSCC#N)O

InChI

InChI=1S/C13H14N2O4S/c14-5-6-20-8-12(17)15-11(13(18)19)7-9-1-3-10(16)4-2-9/h1-4,11,16H,6-8H2,(H,15,17)(H,18,19)