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

Systemtic Name: 2-ethylsulfanylethyl (4R)-2,7,7-trimethyl-5-oxidanylidene-4-(4-oxidanylidenechromen-3-yl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R)-2,7,7-trimethyl-5-oxo-4-(4-oxochromen-3-yl)-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2,7,7-trimethyl-5-oxo-4-(4-oxo-1-benzopyran-3-yl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R)-2,7,7-trimethyl-5-oxo-4-(4-oxochromen-3-yl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-4-(4-ketochromen-3-yl)-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C26H29NO5S MolecularWeight: 467.57716

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=COC4=CC=CC=C4C3=O)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@@H]1C3=COC4=CC=CC=C4C3=O)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C26H29NO5S/c1-5-33-11-10-31-25(30)21-15(2)27-18-12-26(3,4)13-19(28)23(18)22(21)17-14-32-20-9-7-6-8-16(20)24(17)29/h6-9,14,22,27H,5,10-13H2,1-4H3/t22-/m1/s1