methyl 4-ethyl-2-ethylsulfanyl-5-(8-oxidanylquinolin-5-yl)-3,4,5,6,7,8-hexahydro-2H-chromene-7-carboxylate

Systemtic Name: methyl 4-ethyl-2-ethylsulfanyl-5-(8-oxidanylquinolin-5-yl)-3,4,5,6,7,8-hexahydro-2H-chromene-7-carboxylate Openeye Name: methyl 4-ethyl-2-ethylsulfanyl-5-(8-hydroxy-5-quinolyl)-3,4,5,6,7,8-hexahydro-2H-chromene-7-carboxylate CAS Name: 4-ethyl-2-(ethylthio)-5-(8-hydroxy-5-quinolinyl)-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-7-carboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-ethylsulfanyl-5-(8-hydroxyquinolin-5-yl)-3,4,5,6,7,8-hexahydro-2H-chromene-7-carboxylate Traditional Name: 4-ethyl-2-(ethylthio)-5-(8-hydroxy-5-quinolyl)-3,4,5,6,7,8-hexahydro-2H-chromene-7-carboxylic acid methyl ester Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(OC2=C1C(CC(C2)C(=O)OC)C3=C4C=CC=NC4=C(C=C3)O)SCC

Isomeric SMILES

CCC1CC(OC2=C1C(CC(C2)C(=O)OC)C3=C4C=CC=NC4=C(C=C3)O)SCC

InChI

InChI=1S/C24H29NO4S/c1-4-14-13-21(30-5-2)29-20-12-15(24(27)28-3)11-18(22(14)20)16-8-9-19(26)23-17(16)7-6-10-25-23/h6-10,14-15,18,21,26H,4-5,11-13H2,1-3H3