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

Systemtic Name: 2-ethylsulfanylethyl (4S)-2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S)-2,7,7-trimethyl-4-(5-methyl-2-thienyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-4-(5-methyl-2-thiophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S)-2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(5-methyl-2-thienyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C22H29NO3S2 MolecularWeight: 419.60056

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(S3)C)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=C(S3)C)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C22H29NO3S2/c1-6-27-10-9-26-21(25)18-14(3)23-15-11-22(4,5)12-16(24)19(15)20(18)17-8-7-13(2)28-17/h7-8,20,23H,6,9-12H2,1-5H3/t20-/m1/s1