2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanyl-6,7-dimethoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanyl-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl]sulfanyl-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]thio]-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanyl-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl]thio]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C28H23N3O3S MolecularWeight: 481.56552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53)C#N)OC

InChI

InChI=1S/C28H23N3O3S/c1-33-25-14-20-13-21(16-29)28(30-22(20)15-26(25)34-2)35-17-27(32)31-23-9-5-3-7-18(23)11-12-19-8-4-6-10-24(19)31/h3-10,13-15H,11-12,17H2,1-2H3