2-[[2-(cyanomethylsulfanyl)phenyl]carbonyl-(cyclopropylmethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-(cyanomethylsulfanyl)phenyl]carbonyl-(cyclopropylmethyl)amino]ethanoic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]-(cyclopropylmethyl)amino]acetic acid CAS Name: 2-[[[2-(cyanomethylthio)phenyl]-oxomethyl]-(cyclopropylmethyl)amino]acetic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]-(cyclopropylmethyl)amino]acetic acid Traditional Name: 2-[[2-(cyanomethylthio)benzoyl]-(cyclopropylmethyl)amino]acetic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CC(=O)O)C(=O)C2=CC=CC=C2SCC#N

Isomeric SMILES

C1CC1CN(CC(=O)O)C(=O)C2=CC=CC=C2SCC#N

InChI

InChI=1S/C15H16N2O3S/c16-7-8-21-13-4-2-1-3-12(13)15(20)17(10-14(18)19)9-11-5-6-11/h1-4,11H,5-6,8-10H2,(H,18,19)