2-ethylsulfanylethyl (4S)-4-(5-bromanyl-2-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S)-4-(5-bromanyl-2-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S)-4-(5-bromo-2-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S)-4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(5-bromo-2-methoxy-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C24H30BrNO4S MolecularWeight: 508.4683

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)Br)OC)C(=O)CC(C2)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H30BrNO4S/c1-6-31-10-9-30-23(28)20-14(2)26-17-12-24(3,4)13-18(27)22(17)21(20)16-11-15(25)7-8-19(16)29-5/h7-8,11,21,26H,6,9-10,12-13H2,1-5H3/t21-/m1/s1