2-propan-2-yloxyethyl (4S)-4-(5-bromanylthiophen-2-yl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: 2-propan-2-yloxyethyl (4S)-4-(5-bromanylthiophen-2-yl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-isopropoxyethyl (4S)-4-(5-bromo-2-thienyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(5-bromo-2-thiophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-propan-2-yloxyethyl ester IUPAC Name: 2-propan-2-yloxyethyl (4S)-4-(5-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(5-bromo-2-thienyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-isopropoxyethyl ester Formula: C22H28BrNO4S MolecularWeight: 482.43102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCOC(C)C)C3=CC=C(S3)Br)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OCCOC(C)C)C3=CC=C(S3)Br)C(=O)CC(C2)(C)C

InChI

InChI=1S/C22H28BrNO4S/c1-12(2)27-8-9-28-21(26)18-13(3)24-14-10-22(4,5)11-15(25)19(14)20(18)16-6-7-17(23)29-16/h6-7,12,18,20H,8-11H2,1-5H3/t18?,20-/m0/s1