4-[[1,1-bis(oxidanylidene)-1-benzothiophen-6-yl]amino]-6,7-diethoxy-quinoline-3-carbonitrile

Systemtic Name: 4-[[1,1-bis(oxidanylidene)-1-benzothiophen-6-yl]amino]-6,7-diethoxy-quinoline-3-carbonitrile Openeye Name: 4-[(1,1-dioxobenzothiophen-6-yl)amino]-6,7-diethoxy-quinoline-3-carbonitrile CAS Name: 4-[(1,1-dioxo-1-benzothiophen-6-yl)amino]-6,7-diethoxy-3-quinolinecarbonitrile IUPAC Name: 4-[(1,1-dioxo-1-benzothiophen-6-yl)amino]-6,7-diethoxyquinoline-3-carbonitrile Traditional Name: 4-[(1,1-diketobenzothiophen-6-yl)amino]-6,7-diethoxy-quinoline-3-carbonitrile Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC4=C(C=C3)C=CS4(=O)=O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC4=C(C=C3)C=CS4(=O)=O)OCC

InChI

InChI=1S/C22H19N3O4S/c1-3-28-19-10-17-18(11-20(19)29-4-2)24-13-15(12-23)22(17)25-16-6-5-14-7-8-30(26,27)21(14)9-16/h5-11,13H,3-4H2,1-2H3,(H,24,25)