3-[(E)-2-butoxyethenyl]-6H-benzo[c][1]benzothiepin-11-one

Systemtic Name: 3-[(E)-2-butoxyethenyl]-6H-benzo[c][1]benzothiepin-11-one Openeye Name: 3-[(E)-2-butoxyvinyl]-6H-benzo[c][1]benzothiepin-11-one CAS Name: 3-[(E)-2-butoxyethenyl]-6H-benzo[c][1]benzothiepin-11-one IUPAC Name: 3-[(E)-2-butoxyethenyl]-6H-benzo[c][1]benzothiepin-11-one Traditional Name: 3-[(E)-2-butoxyvinyl]-6H-benzo[c][1]benzothiepin-11-one Formula: C20H20O2S MolecularWeight: 324.4366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC=CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2

Isomeric SMILES

CCCCO/C=C/C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2

InChI

InChI=1S/C20H20O2S/c1-2-3-11-22-12-10-15-8-9-18-19(13-15)23-14-16-6-4-5-7-17(16)20(18)21/h4-10,12-13H,2-3,11,14H2,1H3/b12-10+