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

Systemtic Name: 2-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[N-(cyanomethyl)anilino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[N-(cyanomethyl)anilino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[N-(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=C(C=C1)N(CC#N)C(=O)CSCC(=O)O

Isomeric SMILES

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

InChI

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