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

Systemtic Name: [2-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-(N-(1,1-diketo-2,3-dihydrothiophen-3-yl)anilino)-2-keto-ethyl] ester Formula: C22H19NO6S MolecularWeight: 425.45436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N(C3CS(=O)(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N(C3CS(=O)(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H19NO6S/c1-15-18-9-5-6-10-19(18)29-21(15)22(25)28-13-20(24)23(16-7-3-2-4-8-16)17-11-12-30(26,27)14-17/h2-12,17H,13-14H2,1H3