(phenylmethyl) 2-(11-oxidanylidene-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(11-oxidanylidene-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)ethanoate Openeye Name: benzyl 2-(11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetate CAS Name: 2-(11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetate Traditional Name: 2-(11-keto-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetic acid benzyl ester Formula: C23H20O3S MolecularWeight: 376.4681

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)CC(=O)OCC3=CC=CC=C3)S(=O)C4=CC=CC=C41

Isomeric SMILES

C1CC2=C(C=CC(=C2)CC(=O)OCC3=CC=CC=C3)S(=O)C4=CC=CC=C41

InChI

InChI=1S/C23H20O3S/c24-23(26-16-17-6-2-1-3-7-17)15-18-10-13-22-20(14-18)12-11-19-8-4-5-9-21(19)27(22)25/h1-10,13-14H,11-12,15-16H2