3-(2-chloranyl-4-ethoxycarbonyl-5-methyl-phenyl)sulfanyl-2,2-dimethyl-propanoic acid

Systemtic Name: 3-(2-chloranyl-4-ethoxycarbonyl-5-methyl-phenyl)sulfanyl-2,2-dimethyl-propanoic acid Openeye Name: 3-(2-chloro-4-ethoxycarbonyl-5-methyl-phenyl)sulfanyl-2,2-dimethyl-propanoic acid CAS Name: 3-[(2-chloro-4-ethoxycarbonyl-5-methylphenyl)thio]-2,2-dimethylpropanoic acid IUPAC Name: 3-(2-chloro-4-ethoxycarbonyl-5-methylphenyl)sulfanyl-2,2-dimethylpropanoic acid Traditional Name: 3-[(4-carbethoxy-2-chloro-5-methyl-phenyl)thio]-2,2-dimethyl-propionic acid Formula: C15H19ClO4S MolecularWeight: 330.82696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1C)SCC(C)(C)C(=O)O)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1C)SCC(C)(C)C(=O)O)Cl

InChI

InChI=1S/C15H19ClO4S/c1-5-20-13(17)10-7-11(16)12(6-9(10)2)21-8-15(3,4)14(18)19/h6-7H,5,8H2,1-4H3,(H,18,19)