ethyl 4-bromanyl-6-iodanyl-1-methyl-5-oxidanyl-2-[(phenylmethylsulfanyl)methyl]indole-3-carboxylate

Systemtic Name: ethyl 4-bromanyl-6-iodanyl-1-methyl-5-oxidanyl-2-[(phenylmethylsulfanyl)methyl]indole-3-carboxylate Openeye Name: ethyl 2-(benzylsulfanylmethyl)-4-bromo-5-hydroxy-6-iodo-1-methyl-indole-3-carboxylate CAS Name: 4-bromo-5-hydroxy-6-iodo-1-methyl-2-[(phenylmethylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylsulfanylmethyl)-4-bromo-5-hydroxy-6-iodo-1-methylindole-3-carboxylate Traditional Name: 2-[(benzylthio)methyl]-4-bromo-5-hydroxy-6-iodo-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C20H19BrINO3S MolecularWeight: 560.24323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)Br)O)I)C)CSCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)Br)O)I)C)CSCC3=CC=CC=C3

InChI

InChI=1S/C20H19BrINO3S/c1-3-26-20(25)17-15(11-27-10-12-7-5-4-6-8-12)23(2)14-9-13(22)19(24)18(21)16(14)17/h4-9,24H,3,10-11H2,1-2H3