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

Systemtic Name: 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethyl hexanoate Openeye Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethyl hexanoate CAS Name: hexanoic 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 hexanoate Traditional Name: hexanoic acid 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)ethyl ester Formula: C22H24O3S MolecularWeight: 368.48916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24O3S/c1-2-3-4-9-21(23)25-13-12-16-10-11-19-20(14-16)26-15-17-7-5-6-8-18(17)22(19)24/h5-8,10-11,14H,2-4,9,12-13,15H2,1H3