methyl 2-[11,11-bis(oxidanylidene)benzo[b][1]benzothiepin-3-yl]ethanoate

Systemtic Name: methyl 2-[11,11-bis(oxidanylidene)benzo[b][1]benzothiepin-3-yl]ethanoate Openeye Name: methyl 2-(11,11-dioxobenzo[b][1]benzothiepin-3-yl)acetate CAS Name: 2-(11,11-dioxo-3-benzo[b][1]benzothiepinyl)acetic acid methyl ester IUPAC Name: methyl 2-(11,11-dioxobenzo[b][1]benzothiepin-3-yl)acetate Traditional Name: 2-(11,11-diketobenzo[b][1]benzothiepin-3-yl)acetic acid methyl ester Formula: C17H14O4S MolecularWeight: 314.35566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)CC1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3C=C2

InChI

InChI=1S/C17H14O4S/c1-21-17(18)11-12-6-9-16-14(10-12)8-7-13-4-2-3-5-15(13)22(16,19)20/h2-10H,11H2,1H3