2-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[4-(cyanomethyl)anilino]-2-keto-ethyl]thio]acetic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3S/c13-6-5-9-1-3-10(4-2-9)14-11(15)7-18-8-12(16)17/h1-4H,5,7-8H2,(H,14,15)(H,16,17)