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

Systemtic Name: methyl 2-[[6-(2-pyridin-2-ylsulfanylethanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[[2-(2-pyridylsulfanyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[[2-(2-pyridylthio)acetyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C17H15N3O3S3 MolecularWeight: 405.5143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C17H15N3O3S3/c1-23-16(22)10-25-17-20-12-6-5-11(8-13(12)26-17)19-14(21)9-24-15-4-2-3-7-18-15/h2-8H,9-10H2,1H3,(H,19,21)