ethyl 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-bromophenyl)propanoate

Systemtic Name: ethyl 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-bromophenyl)propanoate Openeye Name: ethyl 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-bromophenyl)propanoate CAS Name: 2-(1H-benzimidazol-2-ylthio)-3-(4-bromophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-bromophenyl)propanoate Traditional Name: 2-(1H-benzimidazol-2-ylthio)-3-(4-bromophenyl)propionic acid ethyl ester Formula: C18H17BrN2O2S MolecularWeight: 405.30878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)Br)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)Br)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H17BrN2O2S/c1-2-23-17(22)16(11-12-7-9-13(19)10-8-12)24-18-20-14-5-3-4-6-15(14)21-18/h3-10,16H,2,11H2,1H3,(H,20,21)