5,6-dimethoxy-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxylic acid

Systemtic Name: 5,6-dimethoxy-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxylic acid Openeye Name: 5,6-dimethoxy-3-(o-tolylsulfanyl)-1H-indole-2-carboxylic acid CAS Name: 5,6-dimethoxy-3-[(2-methylphenyl)thio]-1H-indole-2-carboxylic acid IUPAC Name: 5,6-dimethoxy-3-(2-methylphenyl)sulfanyl-1H-indole-2-carboxylic acid Traditional Name: 5,6-dimethoxy-3-(o-tolylthio)-1H-indole-2-carboxylic acid Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C(NC3=CC(=C(C=C32)OC)OC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1SC2=C(NC3=CC(=C(C=C32)OC)OC)C(=O)O

InChI

InChI=1S/C18H17NO4S/c1-10-6-4-5-7-15(10)24-17-11-8-13(22-2)14(23-3)9-12(11)19-16(17)18(20)21/h4-9,19H,1-3H3,(H,20,21)