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

Systemtic Name: 2-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl]thio]acetic acid Formula: C12H14ClNO3S MolecularWeight: 287.76246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClNO3S/c1-7-3-8(2)12(9(13)4-7)14-10(15)5-18-6-11(16)17/h3-4H,5-6H2,1-2H3,(H,14,15)(H,16,17)