2-[3-(1,3-benzothiazol-2-ylmethyl)-2-oxidanylidene-benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-2-oxidanylidene-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-2-oxo-benzimidazol-1-yl]acetic acid CAS Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-2-oxo-1-benzimidazolyl]acetic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-2-oxobenzimidazol-1-yl]acetic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-2-keto-benzimidazol-1-yl]acetic acid Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CN3C4=CC=CC=C4N(C3=O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CN3C4=CC=CC=C4N(C3=O)CC(=O)O

InChI

InChI=1S/C17H13N3O3S/c21-16(22)10-20-13-7-3-2-6-12(13)19(17(20)23)9-15-18-11-5-1-4-8-14(11)24-15/h1-8H,9-10H2,(H,21,22)