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

Systemtic Name: 3-[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoic acid Openeye Name: 3-[3-(2-cyanoanilino)-3-oxo-propyl]sulfanylpropanoic acid CAS Name: 3-[[3-(2-cyanoanilino)-3-oxopropyl]thio]propanoic acid IUPAC Name: 3-[3-(2-cyanoanilino)-3-oxopropyl]sulfanylpropanoic acid Traditional Name: 3-[[3-(2-cyanoanilino)-3-keto-propyl]thio]propionic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c14-9-10-3-1-2-4-11(10)15-12(16)5-7-19-8-6-13(17)18/h1-4H,5-8H2,(H,15,16)(H,17,18)