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

Systemtic Name: ethyl 6-bromanyl-1-methyl-5-oxidanyl-2-(phenylsulfinylmethyl)indole-3-carboxylate Openeye Name: ethyl 2-(benzenesulfinylmethyl)-6-bromo-5-hydroxy-1-methyl-indole-3-carboxylate CAS Name: 2-(benzenesulfinylmethyl)-6-bromo-5-hydroxy-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfinylmethyl)-6-bromo-5-hydroxy-1-methylindole-3-carboxylate Traditional Name: 2-(benzenesulfinylmethyl)-6-bromo-5-hydroxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C19H18BrNO4S MolecularWeight: 436.31952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO4S/c1-3-25-19(23)18-13-9-17(22)14(20)10-15(13)21(2)16(18)11-26(24)12-7-5-4-6-8-12/h4-10,22H,3,11H2,1-2H3