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

Systemtic Name: methyl (4S)-4-(4-bromanyl-5-methyl-thiophen-2-yl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4S)-4-(4-bromo-5-methyl-2-thienyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-bromo-5-methyl-2-thiophenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(4-bromo-5-methylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-bromo-5-methyl-2-thienyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C19H22BrNO3S MolecularWeight: 424.35188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CC(CC2=O)(C)C)C3=CC(=C(S3)C)Br)C(=O)OC

Isomeric SMILES

CC1=C([C@H](C2C(=N1)CC(CC2=O)(C)C)C3=CC(=C(S3)C)Br)C(=O)OC

InChI

InChI=1S/C19H22BrNO3S/c1-9-15(18(23)24-5)17(14-6-11(20)10(2)25-14)16-12(21-9)7-19(3,4)8-13(16)22/h6,16-17H,7-8H2,1-5H3/t16?,17-/m1/s1