2-[[4-bromanyl-5-(4-ethoxycarbonylpiperazin-1-yl)-6-fluoranyl-1H-benzimidazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-bromanyl-5-(4-ethoxycarbonylpiperazin-1-yl)-6-fluoranyl-1H-benzimidazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-bromo-5-(4-ethoxycarbonylpiperazin-1-yl)-6-fluoro-1H-benzimidazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[4-bromo-5-(4-ethoxycarbonyl-1-piperazinyl)-6-fluoro-1H-benzimidazol-2-yl]thio]acetic acid IUPAC Name: 2-[[4-bromo-5-(4-ethoxycarbonylpiperazin-1-yl)-6-fluoro-1H-benzimidazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-bromo-5-(4-carbethoxypiperazino)-6-fluoro-1H-benzimidazol-2-yl]thio]acetic acid Formula: C16H18BrFN4O4S MolecularWeight: 461.305923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2Br)N=C(N3)SCC(=O)O)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2Br)N=C(N3)SCC(=O)O)F

InChI

InChI=1S/C16H18BrFN4O4S/c1-2-26-16(25)22-5-3-21(4-6-22)14-9(18)7-10-13(12(14)17)20-15(19-10)27-8-11(23)24/h7H,2-6,8H2,1H3,(H,19,20)(H,23,24)