1,3-benzodioxol-5-yl 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 3-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(4,5-dihydrothiazol-2-ylthio)methyl]-2-benzofurancarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(2-thiazolin-2-ylthio)methyl]coumarilic acid 1,3-benzodioxol-5-yl ester Formula: C20H15NO5S2 MolecularWeight: 413.4668

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H15NO5S2/c22-19(25-12-5-6-16-17(9-12)24-11-23-16)18-14(10-28-20-21-7-8-27-20)13-3-1-2-4-15(13)26-18/h1-6,9H,7-8,10-11H2