3-(2-chloranyl-4-ethoxycarbonyl-5-methyl-phenyl)sulfanylpropanoic acid

Systemtic Name: 3-(2-chloranyl-4-ethoxycarbonyl-5-methyl-phenyl)sulfanylpropanoic acid Openeye Name: 3-(2-chloro-4-ethoxycarbonyl-5-methyl-phenyl)sulfanylpropanoic acid CAS Name: 3-[(2-chloro-4-ethoxycarbonyl-5-methylphenyl)thio]propanoic acid IUPAC Name: 3-(2-chloro-4-ethoxycarbonyl-5-methylphenyl)sulfanylpropanoic acid Traditional Name: 3-[(4-carbethoxy-2-chloro-5-methyl-phenyl)thio]propionic acid Formula: C13H15ClO4S MolecularWeight: 302.7738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClO4S/c1-3-18-13(17)9-7-10(14)11(6-8(9)2)19-5-4-12(15)16/h6-7H,3-5H2,1-2H3,(H,15,16)