ethyl 3-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]sulfanylethanoyloxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]sulfanylethanoyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[2-[[(3S)-1,1-dioxo-3-thiolanyl]thio]-1-oxoethoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[2-[[(3S)-1,1-diketothiolan-3-yl]thio]acetyl]oxymethyl]coumarilic acid ethyl ester Formula: C18H20O7S2 MolecularWeight: 412.4772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CSC3CCS(=O)(=O)C3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CS[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C18H20O7S2/c1-2-23-18(20)17-14(13-5-3-4-6-15(13)25-17)9-24-16(19)10-26-12-7-8-27(21,22)11-12/h3-6,12H,2,7-11H2,1H3/t12-/m0/s1