[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl] thiophene-2-carboxylate

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl] thiophene-2-carboxylate Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-4-oxo-chromen-7-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-keto-2-methyl-chromen-7-yl] ester Formula: C26H22O6S MolecularWeight: 462.51428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OC(=O)C5=CC=CS5

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OC(=O)C5=CC=CS5

InChI

InChI=1S/C26H22O6S/c1-3-16-12-18-21(14-20(16)32-26(28)23-6-4-11-33-23)31-15(2)24(25(18)27)17-7-8-19-22(13-17)30-10-5-9-29-19/h4,6-8,11-14H,3,5,9-10H2,1-2H3