3-(3-methoxycarbonyl-2-methyl-phenyl)sulfanylpropanoic acid

Systemtic Name: 3-(3-methoxycarbonyl-2-methyl-phenyl)sulfanylpropanoic acid Openeye Name: 3-(3-methoxycarbonyl-2-methyl-phenyl)sulfanylpropanoic acid CAS Name: 3-[(3-methoxycarbonyl-2-methylphenyl)thio]propanoic acid IUPAC Name: 3-(3-methoxycarbonyl-2-methylphenyl)sulfanylpropanoic acid Traditional Name: 3-[(3-carbomethoxy-2-methyl-phenyl)thio]propionic acid Formula: C12H14O4S MolecularWeight: 254.30216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCC(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1SCCC(=O)O)C(=O)OC

InChI

InChI=1S/C12H14O4S/c1-8-9(12(15)16-2)4-3-5-10(8)17-7-6-11(13)14/h3-5H,6-7H2,1-2H3,(H,13,14)