3-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]-2,2-dimethyl-propanoic acid Openeye Name: 3-[(5-chloro-2-methoxy-phenyl)carbamothioylamino]-2,2-dimethyl-propanoic acid CAS Name: 3-[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]amino]-2,2-dimethylpropanoic acid IUPAC Name: 3-[(5-chloro-2-methoxyphenyl)carbamothioylamino]-2,2-dimethylpropanoic acid Traditional Name: 3-[(5-chloro-2-methoxy-phenyl)thiocarbamoylamino]-2,2-dimethyl-propionic acid Formula: C13H17ClN2O3S MolecularWeight: 316.80368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=S)NC1=C(C=CC(=C1)Cl)OC)C(=O)O

Isomeric SMILES

CC(C)(CNC(=S)NC1=C(C=CC(=C1)Cl)OC)C(=O)O

InChI

InChI=1S/C13H17ClN2O3S/c1-13(2,11(17)18)7-15-12(20)16-9-6-8(14)4-5-10(9)19-3/h4-6H,7H2,1-3H3,(H,17,18)(H2,15,16,20)