2-[3-[(4-cyanophenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoic acid

Systemtic Name: 2-[3-[(4-cyanophenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoic acid Openeye Name: 2-[3-(4-cyanoanilino)-3-oxo-propyl]sulfanylpropanoic acid CAS Name: 2-[[3-(4-cyanoanilino)-3-oxopropyl]thio]propanoic acid IUPAC Name: 2-[3-(4-cyanoanilino)-3-oxopropyl]sulfanylpropanoic acid Traditional Name: 2-[[3-(4-cyanoanilino)-3-keto-propyl]thio]propionic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c1-9(13(17)18)19-7-6-12(16)15-11-4-2-10(8-14)3-5-11/h2-5,9H,6-7H2,1H3,(H,15,16)(H,17,18)