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

Systemtic Name: 2-ethylsulfanylethyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S)-2,7,7-trimethyl-5-oxo-4-(3-thienyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(3-thiophenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S)-2,7,7-trimethyl-5-oxo-4-thiophen-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(3-thienyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C21H27NO3S2 MolecularWeight: 405.57398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3S2/c1-5-26-9-7-25-20(24)17-13(2)22-15-10-21(3,4)11-16(23)19(15)18(17)14-6-8-27-12-14/h6,8,12,18,22H,5,7,9-11H2,1-4H3/t18-/m1/s1