dipropyl 2-[2-oxidanylidene-2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethyl]propanedioate

Systemtic Name: dipropyl 2-[2-oxidanylidene-2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethyl]propanedioate Openeye Name: dipropyl 2-[2-oxo-2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethyl]propanedioate CAS Name: 2-[2-oxo-2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethyl]propanedioic acid dipropyl ester IUPAC Name: dipropyl 2-[2-oxo-2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethyl]propanedioate Traditional Name: 2-[2-keto-2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)ethyl]malonic acid dipropyl ester Formula: C25H26O6S MolecularWeight: 454.53534

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(CC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2)C(=O)OCCC

Isomeric SMILES

CCCOC(=O)C(CC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2)C(=O)OCCC

InChI

InChI=1S/C25H26O6S/c1-3-11-30-24(28)20(25(29)31-12-4-2)14-21(26)16-9-10-19-22(13-16)32-15-17-7-5-6-8-18(17)23(19)27/h5-10,13,20H,3-4,11-12,14-15H2,1-2H3