[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-[butyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-[butyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)C

Isomeric SMILES

CCCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)C

InChI

InChI=1S/C20H25NO6S/c1-3-4-10-21(15-9-11-28(24,25)13-15)18(22)12-26-20(23)19-14(2)16-7-5-6-8-17(16)27-19/h5-8,15H,3-4,9-13H2,1-2H3