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

Systemtic Name: 2-azanyl-3-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-[2-(methylthio)anilino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(2-methylsulfanylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-keto-2-[2-(methylthio)anilino]ethyl]thio]propionic acid Formula: C12H16N2O3S2 MolecularWeight: 300.39704

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CSCC(C(=O)O)N

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C12H16N2O3S2/c1-18-10-5-3-2-4-9(10)14-11(15)7-19-6-8(13)12(16)17/h2-5,8H,6-7,13H2,1H3,(H,14,15)(H,16,17)