methyl 4-[2-[[6-(2-pyridin-2-ylsulfanylethanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[[6-(2-pyridin-2-ylsulfanylethanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[6-[[2-(2-pyridylsulfanyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[6-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[[6-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[6-[[2-(2-pyridylthio)acetyl]amino]-1,3-benzothiazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C24H20N4O4S3 MolecularWeight: 524.635

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=CC=CC=N4

InChI

InChI=1S/C24H20N4O4S3/c1-32-23(31)15-5-7-16(8-6-15)26-21(30)14-34-24-28-18-10-9-17(12-19(18)35-24)27-20(29)13-33-22-4-2-3-11-25-22/h2-12H,13-14H2,1H3,(H,26,30)(H,27,29)