methyl 2-[[6-[(4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-[(4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[(4-oxo-6,7-dihydro-5H-benzofuran-3-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[oxo-(4-oxo-6,7-dihydro-5H-benzofuran-3-yl)methyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[(4-keto-6,7-dihydro-5H-benzofuran-3-carbonyl)amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C19H16N2O5S2 MolecularWeight: 416.47074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=COC4=C3C(=O)CCC4

Isomeric SMILES

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=COC4=C3C(=O)CCC4

InChI

InChI=1S/C19H16N2O5S2/c1-25-16(23)9-27-19-21-12-6-5-10(7-15(12)28-19)20-18(24)11-8-26-14-4-2-3-13(22)17(11)14/h5-8H,2-4,9H2,1H3,(H,20,24)