5-methoxy-1-methyl-3-methylsulfanyl-indole-2-carboxylic acid

Systemtic Name: 5-methoxy-1-methyl-3-methylsulfanyl-indole-2-carboxylic acid Openeye Name: 5-methoxy-1-methyl-3-methylsulfanyl-indole-2-carboxylic acid CAS Name: 5-methoxy-1-methyl-3-(methylthio)-2-indolecarboxylic acid IUPAC Name: 5-methoxy-1-methyl-3-methylsulfanylindole-2-carboxylic acid Traditional Name: 5-methoxy-1-methyl-3-(methylthio)indole-2-carboxylic acid Formula: C12H13NO3S MolecularWeight: 251.30152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C(=C1C(=O)O)SC

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C(=C1C(=O)O)SC

InChI

InChI=1S/C12H13NO3S/c1-13-9-5-4-7(16-2)6-8(9)11(17-3)10(13)12(14)15/h4-6H,1-3H3,(H,14,15)