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

Systemtic Name: ethyl (4S)-4-(4-bromanyl-5-methyl-thiophen-2-yl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4S)-4-(4-bromo-5-methyl-2-thienyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-bromo-5-methyl-2-thiophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-bromo-5-methylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-bromo-5-methyl-2-thienyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C20H24BrNO3S MolecularWeight: 438.37846

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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)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrNO3S/c1-6-25-19(24)16-10(2)22-13-8-20(4,5)9-14(23)17(13)18(16)15-7-12(21)11(3)26-15/h7,16,18H,6,8-9H2,1-5H3/t16?,18-/m0/s1