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

Systemtic Name: (2-phenyl-1,3-dioxolan-4-yl)methyl 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)propanoate Openeye Name: (2-phenyl-1,3-dioxolan-4-yl)methyl 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propanoate CAS Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propanoic 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)propanoate Traditional Name: 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)propionic acid (2-phenyl-1,3-dioxolan-4-yl)methyl ester Formula: C27H24O5S MolecularWeight: 460.54146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2)C(=O)OCC4COC(O4)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2)C(=O)OCC4COC(O4)C5=CC=CC=C5

InChI

InChI=1S/C27H24O5S/c1-17(26(29)30-14-21-15-31-27(32-21)18-7-3-2-4-8-18)19-11-12-23-24(13-19)33-16-20-9-5-6-10-22(20)25(23)28/h2-13,17,21,27H,14-16H2,1H3