3-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl]thio]propionic acid Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CSCCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CSCCC(=O)O)C

InChI

InChI=1S/C13H16ClNO3S/c1-8-5-9(2)13(10(14)6-8)15-11(16)7-19-4-3-12(17)18/h5-6H,3-4,7H2,1-2H3,(H,15,16)(H,17,18)