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

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate Openeye Name: [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxo-ethyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [2-(N-[(3S)-1,1-dioxo-3-thiolanyl]anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [2-(N-[(3S)-1,1-diketothiolan-3-yl]anilino)-2-keto-ethyl] ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H19NO6S/c23-20(13-27-21(24)19-12-15-6-4-5-9-18(15)28-19)22(16-7-2-1-3-8-16)17-10-11-29(25,26)14-17/h1-9,12,17H,10-11,13-14H2/t17-/m0/s1