ethyl (4S)-2-azanyl-4-(5-bromanylthiophen-2-yl)-1-(4-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-(5-bromanylthiophen-2-yl)-1-(4-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-(5-bromo-2-thienyl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2-amino-4-(5-bromo-2-thiophenyl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-(5-bromothiophen-2-yl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-2-amino-4-(5-bromo-2-thienyl)-5-keto-1-(4-nitrophenyl)-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C22H20BrN3O5S MolecularWeight: 518.3803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(S3)Br)C(=O)CCC2)C4=CC=C(C=C4)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C([C@@H]1C3=CC=C(S3)Br)C(=O)CCC2)C4=CC=C(C=C4)[N+](=O)[O-])N

InChI

InChI=1S/C22H20BrN3O5S/c1-2-31-22(28)20-19(16-10-11-17(23)32-16)18-14(4-3-5-15(18)27)25(21(20)24)12-6-8-13(9-7-12)26(29)30/h6-11,19H,2-5,24H2,1H3/t19-/m0/s1