5,6-dimethoxy-1-methyl-3-phenylsulfanyl-indole-2-carboxylic acid

Systemtic Name: 5,6-dimethoxy-1-methyl-3-phenylsulfanyl-indole-2-carboxylic acid Openeye Name: 5,6-dimethoxy-1-methyl-3-phenylsulfanyl-indole-2-carboxylic acid CAS Name: 5,6-dimethoxy-1-methyl-3-(phenylthio)-2-indolecarboxylic acid IUPAC Name: 5,6-dimethoxy-1-methyl-3-phenylsulfanylindole-2-carboxylic acid Traditional Name: 5,6-dimethoxy-1-methyl-3-(phenylthio)indole-2-carboxylic acid Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2C(=C1C(=O)O)SC3=CC=CC=C3)OC)OC

Isomeric SMILES

CN1C2=CC(=C(C=C2C(=C1C(=O)O)SC3=CC=CC=C3)OC)OC

InChI

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