(2R)-2-(1,3-benzothiazol-5-ylcarbonylamino)-3-(6-fluoranyl-1H-benzimidazol-2-yl)propanoic acid

Systemtic Name: (2R)-2-(1,3-benzothiazol-5-ylcarbonylamino)-3-(6-fluoranyl-1H-benzimidazol-2-yl)propanoic acid Openeye Name: (2R)-2-(1,3-benzothiazole-5-carbonylamino)-3-(6-fluoro-1H-benzimidazol-2-yl)propanoic acid CAS Name: (2R)-2-[[1,3-benzothiazol-5-yl(oxo)methyl]amino]-3-(6-fluoro-1H-benzimidazol-2-yl)propanoic acid IUPAC Name: (2R)-2-(1,3-benzothiazole-5-carbonylamino)-3-(6-fluoro-1H-benzimidazol-2-yl)propanoic acid Traditional Name: (2R)-2-(1,3-benzothiazole-5-carbonylamino)-3-(6-fluoro-1H-benzimidazol-2-yl)propionic acid Formula: C18H13FN4O3S MolecularWeight: 384.384223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC(CC3=NC4=C(N3)C=C(C=C4)F)C(=O)O)N=CS2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)N[C@H](CC3=NC4=C(N3)C=C(C=C4)F)C(=O)O)N=CS2

InChI

InChI=1S/C18H13FN4O3S/c19-10-2-3-11-12(6-10)22-16(21-11)7-14(18(25)26)23-17(24)9-1-4-15-13(5-9)20-8-27-15/h1-6,8,14H,7H2,(H,21,22)(H,23,24)(H,25,26)/t14-/m1/s1