5-[2-[(5-methyl-2,3-dihydro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[(5-methyl-2,3-dihydro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[2-[(5-methyl-2,3-dihydro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[2-[(5-methyl-2,3-dihydro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[2-[(5-methyl-2,3-dihydro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-[(5-methyl-2,3-dihydro-1H-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(N2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)NC(N2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C17H17N3O4S/c1-9-2-4-12-13(6-9)20-17(19-12)25-8-15(22)18-10-3-5-14(21)11(7-10)16(23)24/h2-7,17,19-21H,8H2,1H3,(H,18,22)(H,23,24)