methyl 5-bromanyl-3-(3,4-dimethoxy-5-oxidanyl-phenyl)sulfanyl-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-(3,4-dimethoxy-5-oxidanyl-phenyl)sulfanyl-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-(3-hydroxy-4,5-dimethoxy-phenyl)sulfanyl-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[(3-hydroxy-4,5-dimethoxyphenyl)thio]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-(3-hydroxy-4,5-dimethoxyphenyl)sulfanyl-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[(3-hydroxy-4,5-dimethoxy-phenyl)thio]-1H-indole-2-carboxylic acid methyl ester Formula: C18H16BrNO5S MolecularWeight: 438.29234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)SC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC)O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)SC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC)O)OC

InChI

InChI=1S/C18H16BrNO5S/c1-23-14-8-10(7-13(21)16(14)24-2)26-17-11-6-9(19)4-5-12(11)20-15(17)18(22)25-3/h4-8,20-21H,1-3H3