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

Systemtic Name: (2-sulfanylidene-1,3-dioxolan-4-yl)methyl 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)propanoate Openeye Name: (2-thioxo-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-sulfanylidene-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2-sulfanylidene-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-thioxo-1,3-dioxolan-4-yl)methyl ester Formula: C21H18O5S2 MolecularWeight: 414.49462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18O5S2/c1-12(20(23)24-9-15-10-25-21(27)26-15)13-6-7-17-18(8-13)28-11-14-4-2-3-5-16(14)19(17)22/h2-8,12,15H,9-11H2,1H3