2-azanyl-3-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-[4-(cyanomethyl)anilino]-2-keto-ethyl]thio]propionic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3S/c14-6-5-9-1-3-10(4-2-9)16-12(17)8-20-7-11(15)13(18)19/h1-4,11H,5,7-8,15H2,(H,16,17)(H,18,19)