4-[2-(1-ethanoylbenzimidazol-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-(1-ethanoylbenzimidazol-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-(1-acetylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[(1-acetyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(1-acetylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(1-acetylbenzimidazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(=O)N1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H15N3O4S/c1-11(22)21-15-5-3-2-4-14(15)20-18(21)26-10-16(23)19-13-8-6-12(7-9-13)17(24)25/h2-9H,10H2,1H3,(H,19,23)(H,24,25)