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

Systemtic Name: (2-methyl-1,3-dioxolan-4-yl)methyl 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)propanoate Openeye Name: (2-methyl-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-methyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2-methyl-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-methyl-1,3-dioxolan-4-yl)methyl ester Formula: C22H22O5S MolecularWeight: 398.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC1OCC(O1)COC(=O)C(C)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4CS3

Isomeric SMILES

CC1OCC(O1)COC(=O)C(C)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4CS3

InChI

InChI=1S/C22H22O5S/c1-13(22(24)26-11-17-10-25-14(2)27-17)15-7-8-19-20(9-15)28-12-16-5-3-4-6-18(16)21(19)23/h3-9,13-14,17H,10-12H2,1-2H3