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

Systemtic Name: 2-[[6-[(4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[(4-oxo-6,7-dihydro-5H-benzofuran-3-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[oxo-(4-oxo-6,7-dihydro-5H-benzofuran-3-yl)methyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[(4-keto-6,7-dihydro-5H-benzofuran-3-carbonyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=COC4=C3C(=O)CCC4

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=COC4=C3C(=O)CCC4

InChI

InChI=1S/C20H18N2O5S2/c1-11(23)26-7-8-28-20-22-14-6-5-12(9-17(14)29-20)21-19(25)13-10-27-16-4-2-3-15(24)18(13)16/h5-6,9-10H,2-4,7-8H2,1H3,(H,21,25)