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

Systemtic Name: ethyl 2-azanyl-4-(4-bromanylthiophen-2-yl)-5-oxidanylidene-1-(4-sulfamoylphenyl)-4,6,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2-amino-4-(4-bromo-2-thienyl)-5-oxo-1-(4-sulfamoylphenyl)-4,6,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 2-amino-4-(4-bromo-2-thiophenyl)-5-oxo-1-(4-sulfamoylphenyl)-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(4-bromothiophen-2-yl)-5-oxo-1-(4-sulfamoylphenyl)-4,6,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 2-amino-4-(4-bromo-2-thienyl)-5-keto-1-(4-sulfamoylphenyl)-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C22H22BrN3O5S2 MolecularWeight: 552.46118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O5S2/c1-2-31-22(28)20-19(17-10-12(23)11-32-17)18-15(4-3-5-16(18)27)26(21(20)24)13-6-8-14(9-7-13)33(25,29)30/h6-11,19H,2-5,24H2,1H3,(H2,25,29,30)