ethyl (4S)-2-azanyl-4-(5-bromanylthiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-1-phenyl-6,8-dihydro-4H-quinoline-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-(5-bromanylthiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-1-phenyl-6,8-dihydro-4H-quinoline-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-(5-bromo-2-thienyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carboxylate CAS Name: (4S)-2-amino-4-(5-bromo-2-thiophenyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carboxylate Traditional Name: (4S)-2-amino-4-(5-bromo-2-thienyl)-5-keto-7,7-dimethyl-1-phenyl-6,8-dihydro-4H-quinoline-3-carboxylic acid ethyl ester Formula: C24H25BrN2O3S MolecularWeight: 501.4359

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(S3)Br)C(=O)CC(C2)(C)C)C4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C([C@@H]1C3=CC=C(S3)Br)C(=O)CC(C2)(C)C)C4=CC=CC=C4)N

InChI

InChI=1S/C24H25BrN2O3S/c1-4-30-23(29)21-20(17-10-11-18(25)31-17)19-15(12-24(2,3)13-16(19)28)27(22(21)26)14-8-6-5-7-9-14/h5-11,20H,4,12-13,26H2,1-3H3/t20-/m0/s1