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

Systemtic Name: 3-[(E)-2-pentoxyethenyl]-6H-benzo[c][1]benzothiepin-11-one Openeye Name: 3-[(E)-2-pentoxyvinyl]-6H-benzo[c][1]benzothiepin-11-one CAS Name: 3-[(E)-2-pentoxyethenyl]-6H-benzo[c][1]benzothiepin-11-one IUPAC Name: 3-[(E)-2-pentoxyethenyl]-6H-benzo[c][1]benzothiepin-11-one Traditional Name: 3-[(E)-2-amoxyvinyl]-6H-benzo[c][1]benzothiepin-11-one Formula: C21H22O2S MolecularWeight: 338.46318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O2S/c1-2-3-6-12-23-13-11-16-9-10-19-20(14-16)24-15-17-7-4-5-8-18(17)21(19)22/h4-5,7-11,13-14H,2-3,6,12,15H2,1H3/b13-11+