(2-phenyl-1,3-dioxolan-4-yl)methyl 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethanoate

Systemtic Name: (2-phenyl-1,3-dioxolan-4-yl)methyl 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethanoate Openeye Name: (2-phenyl-1,3-dioxolan-4-yl)methyl 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetate CAS Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetic acid (2-phenyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2-phenyl-1,3-dioxolan-4-yl)methyl 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetate Traditional Name: 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)acetic acid (2-phenyl-1,3-dioxolan-4-yl)methyl ester Formula: C26H22O5S MolecularWeight: 446.51488

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)C2=CC=CC=C2)COC(=O)CC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5CS4

Isomeric SMILES

C1C(OC(O1)C2=CC=CC=C2)COC(=O)CC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5CS4

InChI

InChI=1S/C26H22O5S/c27-24(29-14-20-15-30-26(31-20)18-6-2-1-3-7-18)13-17-10-11-22-23(12-17)32-16-19-8-4-5-9-21(19)25(22)28/h1-12,20,26H,13-16H2