[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C20H20O6S MolecularWeight: 388.4342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H20O6S/c1-13-3-7-19(27-13)15(21)5-8-20(23)26-12-16(22)14-4-6-17-18(11-14)25-10-2-9-24-17/h3-4,6-7,11H,2,5,8-10,12H2,1H3