ethyl 5-bromanyl-1-methyl-6-oxidanyl-2-(phenylmethylsulfanyl)indole-3-carboxylate

Systemtic Name: ethyl 5-bromanyl-1-methyl-6-oxidanyl-2-(phenylmethylsulfanyl)indole-3-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-5-bromo-6-hydroxy-1-methyl-indole-3-carboxylate CAS Name: 5-bromo-6-hydroxy-1-methyl-2-(phenylmethylthio)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-5-bromo-6-hydroxy-1-methylindole-3-carboxylate Traditional Name: 2-(benzylthio)-5-bromo-6-hydroxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C19H18BrNO3S MolecularWeight: 420.32012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)Br)O)C)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)Br)O)C)SCC3=CC=CC=C3

InChI

InChI=1S/C19H18BrNO3S/c1-3-24-19(23)17-13-9-14(20)16(22)10-15(13)21(2)18(17)25-11-12-7-5-4-6-8-12/h4-10,22H,3,11H2,1-2H3