6-bromanyl-5-methoxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylic acid

Systemtic Name: 6-bromanyl-5-methoxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylic acid Openeye Name: 6-bromo-5-methoxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylic acid CAS Name: 6-bromo-5-methoxy-1-phenyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid IUPAC Name: 6-bromo-5-methoxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylic acid Traditional Name: 6-bromo-5-methoxy-1-phenyl-2-[(phenylthio)methyl]indole-3-carboxylic acid Formula: C23H18BrNO3S MolecularWeight: 468.36292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(N2C3=CC=CC=C3)CSC4=CC=CC=C4)C(=O)O)Br

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N2C3=CC=CC=C3)CSC4=CC=CC=C4)C(=O)O)Br

InChI

InChI=1S/C23H18BrNO3S/c1-28-21-12-17-19(13-18(21)24)25(15-8-4-2-5-9-15)20(22(17)23(26)27)14-29-16-10-6-3-7-11-16/h2-13H,14H2,1H3,(H,26,27)