ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-bromanyl-5-methoxy-1-methyl-indole-3-carboxylate

Systemtic Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-bromanyl-5-methoxy-1-methyl-indole-3-carboxylate Openeye Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methyl-indole-3-carboxylate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-6-bromo-5-methoxy-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-6-bromo-5-methoxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H20BrN3O3S/c1-4-28-20(26)19-12-9-18(27-3)13(22)10-16(12)25(2)17(19)11-29-21-23-14-7-5-6-8-15(14)24-21/h5-10H,4,11H2,1-3H3,(H,23,24)