ethyl 3-(9-cyano-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propanoate

Systemtic Name: ethyl 3-(9-cyano-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propanoate Openeye Name: ethyl 3-(9-cyano-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propanoate CAS Name: 3-(9-cyano-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(9-cyano-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propanoate Traditional Name: 3-(9-cyano-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propionic acid ethyl ester Formula: C20H19NO2S MolecularWeight: 337.43536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC2=C(C=C1)SC3=C(CC2)C=CC(=C3)C#N

Isomeric SMILES

CCOC(=O)CCC1=CC2=C(C=C1)SC3=C(CC2)C=CC(=C3)C#N

InChI

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