2-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-(4-cyanoanilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-(4-cyanoanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(4-cyanoanilino)-2-keto-ethyl]thio]propionic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)NC1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C(=O)O)SCC(=O)NC1=CC=C(C=C1)C#N

InChI

InChI=1S/C12H12N2O3S/c1-8(12(16)17)18-7-11(15)14-10-4-2-9(6-13)3-5-10/h2-5,8H,7H2,1H3,(H,14,15)(H,16,17)