5-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetyl]amino]-2-hydroxy-benzoic acid Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C18H16N2O5S2/c1-2-25-11-4-5-13-15(8-11)27-18(20-13)26-9-16(22)19-10-3-6-14(21)12(7-10)17(23)24/h3-8,21H,2,9H2,1H3,(H,19,22)(H,23,24)