2-azanyl-3-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(3-cyanoanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]propionic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3S/c13-5-8-2-1-3-9(4-8)15-11(16)7-19-6-10(14)12(17)18/h1-4,10H,6-7,14H2,(H,15,16)(H,17,18)