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

Systemtic Name: 2-azanyl-3-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl]thio]propionic acid Formula: C13H17ClN2O3S MolecularWeight: 316.80368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O3S/c1-7-3-8(2)12(9(14)4-7)16-11(17)6-20-5-10(15)13(18)19/h3-4,10H,5-6,15H2,1-2H3,(H,16,17)(H,18,19)