5-(furan-2-ylmethyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-2,3-dicarbonitrile

Systemtic Name: 5-(furan-2-ylmethyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-2,3-dicarbonitrile Openeye Name: 5-(2-furylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-2,3-dicarbonitrile CAS Name: 5-(2-furanylmethyl)-6-oxobenzo[b][1,4]benzothiazepine-2,3-dicarbonitrile IUPAC Name: 5-(furan-2-ylmethyl)-6-oxobenzo[b][1,4]benzothiazepine-2,3-dicarbonitrile Traditional Name: 5-(2-furfuryl)-6-keto-benzo[b][1,4]benzothiazepine-2,3-dicarbonitrile Formula: C20H11N3O2S MolecularWeight: 357.38524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C3=C(S2)C=C(C(=C3)C#N)C#N)CC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C3=C(S2)C=C(C(=C3)C#N)C#N)CC4=CC=CO4

InChI

InChI=1S/C20H11N3O2S/c21-10-13-8-17-19(9-14(13)11-22)26-18-6-2-1-5-16(18)20(24)23(17)12-15-4-3-7-25-15/h1-9H,12H2