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

Systemtic Name: 1,3-dioxolan-4-ylmethyl 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)propanoate Openeye Name: 1,3-dioxolan-4-ylmethyl 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 1,3-dioxolan-4-ylmethyl ester IUPAC Name: 1,3-dioxolan-4-ylmethyl 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 1,3-dioxolan-4-ylmethyl ester Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2)C(=O)OCC4COCO4

Isomeric SMILES

CC(C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2)C(=O)OCC4COCO4

InChI

InChI=1S/C21H20O5S/c1-13(21(23)25-10-16-9-24-12-26-16)14-6-7-18-19(8-14)27-11-15-4-2-3-5-17(15)20(18)22/h2-8,13,16H,9-12H2,1H3