3-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H15N3O4S/c1-24-12-5-6-13-14(8-12)20-17(19-13)25-9-15(21)18-11-4-2-3-10(7-11)16(22)23/h2-8H,9H2,1H3,(H,18,21)(H,19,20)(H,22,23)