ethyl 2-azanyl-1-(5-bromanylpyridin-2-yl)-5-oxidanylidene-4-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 2-azanyl-1-(5-bromanylpyridin-2-yl)-5-oxidanylidene-4-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2-amino-1-(5-bromo-2-pyridyl)-5-oxo-4-(2-thienyl)-4,6,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 2-amino-1-(5-bromo-2-pyridinyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-(5-bromopyridin-2-yl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 2-amino-1-(5-bromo-2-pyridyl)-5-keto-4-(2-thienyl)-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C1C3=CC=CS3)C(=O)CCC2)C4=NC=C(C=C4)Br)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C1C3=CC=CS3)C(=O)CCC2)C4=NC=C(C=C4)Br)N

InChI

InChI=1S/C21H20BrN3O3S/c1-2-28-21(27)19-18(15-7-4-10-29-15)17-13(5-3-6-14(17)26)25(20(19)23)16-9-8-12(22)11-24-16/h4,7-11,18H,2-3,5-6,23H2,1H3