2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethyl butanoate

Systemtic Name: 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethyl butanoate Openeye Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethyl butanoate CAS Name: butanoic acid 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethyl ester IUPAC Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethyl butanoate Traditional Name: butyric acid 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)ethyl ester Formula: C20H20O3S MolecularWeight: 340.436

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2

Isomeric SMILES

CCCC(=O)OCCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2

InChI

InChI=1S/C20H20O3S/c1-2-5-19(21)23-11-10-14-8-9-17-18(12-14)24-13-15-6-3-4-7-16(15)20(17)22/h3-4,6-9,12H,2,5,10-11,13H2,1H3