6-bromanyl-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylic acid

Systemtic Name: 6-bromanyl-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylic acid Openeye Name: 6-bromo-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylic acid CAS Name: 6-bromo-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid IUPAC Name: 6-bromo-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylic acid Traditional Name: 6-bromo-5-hydroxy-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid Formula: C17H14BrNO3S MolecularWeight: 392.26696

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2C(=C1CSC3=CC=CC=C3)C(=O)O)O)Br

Isomeric SMILES

CN1C2=CC(=C(C=C2C(=C1CSC3=CC=CC=C3)C(=O)O)O)Br

InChI

InChI=1S/C17H14BrNO3S/c1-19-13-8-12(18)15(20)7-11(13)16(17(21)22)14(19)9-23-10-5-3-2-4-6-10/h2-8,20H,9H2,1H3,(H,21,22)