5-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]-2-hydroxy-benzoic acid Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C18H17N3O5S/c1-2-26-11-4-5-13-14(8-11)21-18(20-13)27-9-16(23)19-10-3-6-15(22)12(7-10)17(24)25/h3-8,22H,2,9H2,1H3,(H,19,23)(H,20,21)(H,24,25)