3-[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(2-cyanoanilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(2-cyanoanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(2-cyanoanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(2-cyanoanilino)-2-keto-ethyl]thio]propionic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)CSCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)CSCCC(=O)O

InChI

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