2-ethylsulfanylethyl (4R)-2,7,7-trimethyl-4-(6-methyl-4-oxidanylidene-chromen-3-yl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4R)-2,7,7-trimethyl-4-(6-methyl-4-oxidanylidene-chromen-3-yl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R)-2,7,7-trimethyl-4-(6-methyl-4-oxo-chromen-3-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2,7,7-trimethyl-4-(6-methyl-4-oxo-1-benzopyran-3-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R)-2,7,7-trimethyl-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-4-(4-keto-6-methyl-chromen-3-yl)-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=COC4=C(C3=O)C=C(C=C4)C)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@@H]1C3=COC4=C(C3=O)C=C(C=C4)C)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C27H31NO5S/c1-6-34-10-9-32-26(31)22-16(3)28-19-12-27(4,5)13-20(29)24(19)23(22)18-14-33-21-8-7-15(2)11-17(21)25(18)30/h7-8,11,14,23,28H,6,9-10,12-13H2,1-5H3/t23-/m1/s1