ethyl (4S,4aS)-4-(5-bromanylthiophen-2-yl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: ethyl (4S,4aS)-4-(5-bromanylthiophen-2-yl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: ethyl (4S,4aS)-4-(5-bromo-2-thienyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aS)-4-(5-bromo-2-thiophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,4aS)-4-(5-bromothiophen-2-yl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aS)-4-(5-bromo-2-thienyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester Formula: C17H18BrNO3S MolecularWeight: 396.29872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2C(=O)CCC=C2N=C1C)C3=CC=C(S3)Br

Isomeric SMILES

CCOC(=O)C1[C@H]([C@@H]2C(=O)CCC=C2N=C1C)C3=CC=C(S3)Br

InChI

InChI=1S/C17H18BrNO3S/c1-3-22-17(21)14-9(2)19-10-5-4-6-11(20)15(10)16(14)12-7-8-13(18)23-12/h5,7-8,14-16H,3-4,6H2,1-2H3/t14?,15-,16+/m0/s1