6-methoxy-2-[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-quinoline-3-carbonitrile

Systemtic Name: 6-methoxy-2-[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 6-methoxy-2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 6-methoxy-2-[[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 6-methoxy-2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 2-[[2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl]thio]-6-methoxy-quinoline-3-carbonitrile Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CC(=O)NC4=CC=CC=C43

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C21H16N4O3S/c1-28-15-6-7-16-13(9-15)8-14(10-22)21(24-16)29-12-20(27)25-11-19(26)23-17-4-2-3-5-18(17)25/h2-9H,11-12H2,1H3,(H,23,26)