(2R)-2-(1-benzothiophen-2-ylcarbonylamino)-3-(6-fluoranyl-1H-benzimidazol-2-yl)propanoic acid

Systemtic Name: (2R)-2-(1-benzothiophen-2-ylcarbonylamino)-3-(6-fluoranyl-1H-benzimidazol-2-yl)propanoic acid Openeye Name: (2R)-2-(benzothiophene-2-carbonylamino)-3-(6-fluoro-1H-benzimidazol-2-yl)propanoic acid CAS Name: (2R)-2-[[1-benzothiophen-2-yl(oxo)methyl]amino]-3-(6-fluoro-1H-benzimidazol-2-yl)propanoic acid IUPAC Name: (2R)-2-(1-benzothiophene-2-carbonylamino)-3-(6-fluoro-1H-benzimidazol-2-yl)propanoic acid Traditional Name: (2R)-2-(benzothiophene-2-carbonylamino)-3-(6-fluoro-1H-benzimidazol-2-yl)propionic acid Formula: C19H14FN3O3S MolecularWeight: 383.396163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C(=O)NC(CC3=NC4=C(N3)C=C(C=C4)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C(=O)N[C@H](CC3=NC4=C(N3)C=C(C=C4)F)C(=O)O

InChI

InChI=1S/C19H14FN3O3S/c20-11-5-6-12-13(8-11)22-17(21-12)9-14(19(25)26)23-18(24)16-7-10-3-1-2-4-15(10)27-16/h1-8,14H,9H2,(H,21,22)(H,23,24)(H,25,26)/t14-/m1/s1