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

Systemtic Name: 2-ethylsulfanylethyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(4-oxidanylidenechromen-3-yl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S)-2,7,7-trimethyl-5-oxo-4-(4-oxochromen-3-yl)-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(4-oxo-1-benzopyran-3-yl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S)-2,7,7-trimethyl-5-oxo-4-(4-oxochromen-3-yl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-4-(4-ketochromen-3-yl)-2,7,7-trimethyl-3,4,6,8-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)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=COC4=CC=CC=C4C3=O

Isomeric SMILES

CCSCCOC(=O)C1[C@@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=COC4=CC=CC=C4C3=O

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/h6-9,14,21-22H,5,10-13H2,1-4H3/t21?,22-/m0/s1