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

Systemtic Name: 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)propyl heptanoate Openeye Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propyl heptanoate CAS Name: heptanoic 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 heptanoate Traditional Name: enanthic acid 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)propyl ester Formula: C24H28O3S MolecularWeight: 396.54232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28O3S/c1-3-4-5-6-11-23(25)27-15-17(2)18-12-13-21-22(14-18)28-16-19-9-7-8-10-20(19)24(21)26/h7-10,12-14,17H,3-6,11,15-16H2,1-2H3