[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 3-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(4,5-dihydrothiazol-2-ylthio)methyl]-2-benzofurancarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(2-thiazolin-2-ylthio)methyl]coumarilic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NCCS3

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NCCS3

InChI

InChI=1S/C20H24N2O4S2/c1-3-13(4-2)22-17(23)11-25-19(24)18-15(12-28-20-21-9-10-27-20)14-7-5-6-8-16(14)26-18/h5-8,13H,3-4,9-12H2,1-2H3,(H,22,23)