3-ethoxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carbonitrile

Systemtic Name: 3-ethoxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carbonitrile Openeye Name: 3-ethoxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carbonitrile CAS Name: 3-ethoxy-5,6-dihydrobenzo[b][1]benzothiepin-7-carbonitrile IUPAC Name: 3-ethoxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carbonitrile Traditional Name: 3-ethoxy-5,6-dihydrobenzo[b][1]benzothiepin-7-carbonitrile Formula: C17H15NOS MolecularWeight: 281.3721

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)SC3=CC=CC(=C3CC2)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)SC3=CC=CC(=C3CC2)C#N

InChI

InChI=1S/C17H15NOS/c1-2-19-14-7-9-16-12(10-14)6-8-15-13(11-18)4-3-5-17(15)20-16/h3-5,7,9-10H,2,6,8H2,1H3