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

Systemtic Name: 3-methoxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carbonitrile Openeye Name: 3-methoxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carbonitrile CAS Name: 3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-7-carbonitrile IUPAC Name: 3-methoxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carbonitrile Traditional Name: 3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-7-carbonitrile Formula: C16H13NOS MolecularWeight: 267.34552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC3=CC=CC(=C3CC2)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)SC3=CC=CC(=C3CC2)C#N

InChI

InChI=1S/C16H13NOS/c1-18-13-6-8-15-11(9-13)5-7-14-12(10-17)3-2-4-16(14)19-15/h2-4,6,8-9H,5,7H2,1H3