5-(5-chloranylthiophen-2-yl)-1-(1,2-oxazol-3-ylmethyl)-4-(3-oxidanylazetidin-1-yl)carbonyl-benzimidazole-2-carboxylic acid

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-1-(1,2-oxazol-3-ylmethyl)-4-(3-oxidanylazetidin-1-yl)carbonyl-benzimidazole-2-carboxylic acid Openeye Name: 5-(5-chloro-2-thienyl)-4-(3-hydroxyazetidine-1-carbonyl)-1-(isoxazol-3-ylmethyl)benzimidazole-2-carboxylic acid CAS Name: 5-(5-chloro-2-thiophenyl)-4-[(3-hydroxy-1-azetidinyl)-oxomethyl]-1-(3-isoxazolylmethyl)-2-benzimidazolecarboxylic acid IUPAC Name: 5-(5-chlorothiophen-2-yl)-4-(3-hydroxyazetidine-1-carbonyl)-1-(1,2-oxazol-3-ylmethyl)benzimidazole-2-carboxylic acid Traditional Name: 5-(5-chloro-2-thienyl)-4-(3-hydroxyazetidine-1-carbonyl)-1-(isoxazol-3-ylmethyl)benzimidazole-2-carboxylic acid Formula: C20H15ClN4O5S MolecularWeight: 458.8749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C(=O)C2=C(C=CC3=C2N=C(N3CC4=NOC=C4)C(=O)O)C5=CC=C(S5)Cl)O

Isomeric SMILES

C1C(CN1C(=O)C2=C(C=CC3=C2N=C(N3CC4=NOC=C4)C(=O)O)C5=CC=C(S5)Cl)O

InChI

InChI=1S/C20H15ClN4O5S/c21-15-4-3-14(31-15)12-1-2-13-17(16(12)19(27)24-8-11(26)9-24)22-18(20(28)29)25(13)7-10-5-6-30-23-10/h1-6,11,26H,7-9H2,(H,28,29)