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

Systemtic Name: 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)propyl butanoate Openeye Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propyl butanoate CAS Name: butanoic acid 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propyl ester IUPAC Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propyl butanoate Traditional Name: butyric acid 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)propyl ester Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O3S/c1-3-6-20(22)24-12-14(2)15-9-10-18-19(11-15)25-13-16-7-4-5-8-17(16)21(18)23/h4-5,7-11,14H,3,6,12-13H2,1-2H3