ethyl 6-bromanyl-5-oxidanyl-2-(phenylsulfanylmethyl)-1H-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-oxidanyl-2-(phenylsulfanylmethyl)-1H-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-2-(phenylsulfanylmethyl)-1H-indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-[(phenylthio)methyl]-1H-indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-2-(phenylsulfanylmethyl)-1H-indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-2-[(phenylthio)methyl]-1H-indole-3-carboxylic acid ethyl ester Formula: C18H16BrNO3S MolecularWeight: 406.29354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(=C(C=C21)O)Br)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(=C(C=C21)O)Br)CSC3=CC=CC=C3

InChI

InChI=1S/C18H16BrNO3S/c1-2-23-18(22)17-12-8-16(21)13(19)9-14(12)20-15(17)10-24-11-6-4-3-5-7-11/h3-9,20-21H,2,10H2,1H3