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

Systemtic Name: 6,7-dimethoxy-2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 6,7-dimethoxy-2-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 6,7-dimethoxy-2-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 2-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CSC2=NC3=CC(=C(C=C3C=C2C#N)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CSC2=NC3=CC(=C(C=C3C=C2C#N)OC)OC

InChI

InChI=1S/C21H18N2O4S/c1-25-16-6-4-5-13(8-16)18(24)12-28-21-15(11-22)7-14-9-19(26-2)20(27-3)10-17(14)23-21/h4-10H,12H2,1-3H3