3-[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(N-methylanilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(N-methylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(N-methylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-(N-methylanilino)ethyl]thio]propionic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CSCCC(=O)O

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CSCCC(=O)O

InChI

InChI=1S/C12H15NO3S/c1-13(10-5-3-2-4-6-10)11(14)9-17-8-7-12(15)16/h2-6H,7-9H2,1H3,(H,15,16)