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

Systemtic Name: ethyl 6-bromanyl-4-(imidazol-1-ylmethyl)-1-methyl-5-oxidanyl-2-[(phenylmethylsulfanyl)methyl]indole-3-carboxylate Openeye Name: ethyl 2-(benzylsulfanylmethyl)-6-bromo-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-4-(1-imidazolylmethyl)-1-methyl-2-[(phenylmethylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylsulfanylmethyl)-6-bromo-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methylindole-3-carboxylate Traditional Name: 2-[(benzylthio)methyl]-6-bromo-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C24H24BrN3O3S MolecularWeight: 514.43466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3)O)Br)C)CSCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3)O)Br)C)CSCC4=CC=CC=C4

InChI

InChI=1S/C24H24BrN3O3S/c1-3-31-24(30)22-20(14-32-13-16-7-5-4-6-8-16)27(2)19-11-18(25)23(29)17(21(19)22)12-28-10-9-26-15-28/h4-11,15,29H,3,12-14H2,1-2H3