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

Systemtic Name: ethyl (4S)-4-(5-bromanylthiophen-2-yl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C19H22BrNO3S MolecularWeight: 424.35188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=C(S3)Br

Isomeric SMILES

CCOC(=O)C1[C@@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=C(S3)Br

InChI

InChI=1S/C19H22BrNO3S/c1-5-24-18(23)15-10(2)21-11-8-19(3,4)9-12(22)16(11)17(15)13-6-7-14(20)25-13/h6-7,15,17H,5,8-9H2,1-4H3/t15?,17-/m0/s1