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

Systemtic Name: dimethyl 2-[2-oxidanylidene-2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethyl]propanedioate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C21H18O6S MolecularWeight: 398.42902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2)C(=O)OC

Isomeric SMILES

COC(=O)C(CC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2)C(=O)OC

InChI

InChI=1S/C21H18O6S/c1-26-20(24)16(21(25)27-2)10-17(22)12-7-8-15-18(9-12)28-11-13-5-3-4-6-14(13)19(15)23/h3-9,16H,10-11H2,1-2H3