ethyl 3-(2-cyano-5,6-dihydrobenzo[b][1]benzothiepin-10-yl)propanoate

Systemtic Name: ethyl 3-(2-cyano-5,6-dihydrobenzo[b][1]benzothiepin-10-yl)propanoate Openeye Name: ethyl 3-(2-cyano-5,6-dihydrobenzo[b][1]benzothiepin-10-yl)propanoate CAS Name: 3-(2-cyano-5,6-dihydrobenzo[b][1]benzothiepin-10-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-cyano-5,6-dihydrobenzo[b][1]benzothiepin-10-yl)propanoate Traditional Name: 3-(2-cyano-5,6-dihydrobenzo[b][1]benzothiepin-10-yl)propionic acid ethyl ester Formula: C20H19NO2S MolecularWeight: 337.43536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=CC2=C1SC3=C(CC2)C=CC(=C3)C#N

Isomeric SMILES

CCOC(=O)CCC1=CC=CC2=C1SC3=C(CC2)C=CC(=C3)C#N

InChI

InChI=1S/C20H19NO2S/c1-2-23-19(22)11-10-17-5-3-4-16-9-8-15-7-6-14(13-21)12-18(15)24-20(16)17/h3-7,12H,2,8-11H2,1H3