3-methoxy-5-oxidanylidene-6H-benzo[b][1]benzothiepine-7-carbonitrile

Systemtic Name: 3-methoxy-5-oxidanylidene-6H-benzo[b][1]benzothiepine-7-carbonitrile Openeye Name: 3-methoxy-5-oxo-6H-benzo[b][1]benzothiepine-7-carbonitrile CAS Name: 3-methoxy-5-oxo-6H-benzo[b][1]benzothiepin-7-carbonitrile IUPAC Name: 3-methoxy-5-oxo-6H-benzo[b][1]benzothiepine-7-carbonitrile Traditional Name: 5-keto-3-methoxy-6H-benzo[b][1]benzothiepin-7-carbonitrile Formula: C16H11NO2S MolecularWeight: 281.32904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO2S/c1-19-11-5-6-16-13(7-11)14(18)8-12-10(9-17)3-2-4-15(12)20-16/h2-7H,8H2,1H3