diethyl 2-[2-(8-chloranyl-11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)-2-oxidanylidene-ethyl]propanedioate

Systemtic Name: diethyl 2-[2-(8-chloranyl-11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)-2-oxidanylidene-ethyl]propanedioate Openeye Name: diethyl 2-[2-(8-chloro-11-oxo-6H-benzo[c][1]benzothiepin-3-yl)-2-oxo-ethyl]propanedioate CAS Name: 2-[2-(8-chloro-11-oxo-6H-benzo[c][1]benzothiepin-3-yl)-2-oxoethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(8-chloro-11-oxo-6H-benzo[c][1]benzothiepin-3-yl)-2-oxoethyl]propanedioate Traditional Name: 2-[2-(8-chloro-11-keto-6H-benzo[c][1]benzothiepin-3-yl)-2-keto-ethyl]malonic acid diethyl ester Formula: C23H21ClO6S MolecularWeight: 460.92724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=CC2=C(C=C1)C(=O)C3=C(CS2)C=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC(=O)C1=CC2=C(C=C1)C(=O)C3=C(CS2)C=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C23H21ClO6S/c1-3-29-22(27)18(23(28)30-4-2)11-19(25)13-5-7-17-20(10-13)31-12-14-9-15(24)6-8-16(14)21(17)26/h5-10,18H,3-4,11-12H2,1-2H3