6,7-dimethoxy-2-[2-oxidanylidene-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethyl]sulfanyl-quinoline-3-carbonitrile

Systemtic Name: 6,7-dimethoxy-2-[2-oxidanylidene-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 6,7-dimethoxy-2-[2-oxo-2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 6,7-dimethoxy-2-[[2-oxo-2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-2-[2-oxo-2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 2-[[2-keto-2-(2-keto-1,3-benzoxazol-3-yl)ethyl]thio]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C21H15N3O5S MolecularWeight: 421.4259

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)N3C4=CC=CC=C4OC3=O)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)N3C4=CC=CC=C4OC3=O)C#N)OC

InChI

InChI=1S/C21H15N3O5S/c1-27-17-8-12-7-13(10-22)20(23-14(12)9-18(17)28-2)30-11-19(25)24-15-5-3-4-6-16(15)29-21(24)26/h3-9H,11H2,1-2H3