2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-N-(2-methoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]-N-(2-methoxyphenyl)cinchoninamide Formula: C27H22N2O5S MolecularWeight: 486.53898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H22N2O5S/c1-32-23-9-5-4-8-21(23)29-27(31)19-15-26(28-20-7-3-2-6-18(19)20)35-16-22(30)17-10-11-24-25(14-17)34-13-12-33-24/h2-11,14-15H,12-13,16H2,1H3,(H,29,31)