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

Systemtic Name: 2-ethylsulfanylethyl (4S)-4-(4-acetyloxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S)-4-(4-acetoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-acetyloxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S)-4-(4-acetyloxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-acetoxyphenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=C(C=C3)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO5S/c1-6-32-12-11-30-24(29)21-15(2)26-19-13-25(4,5)14-20(28)23(19)22(21)17-7-9-18(10-8-17)31-16(3)27/h7-10,21-22H,6,11-14H2,1-5H3/t21?,22-/m1/s1