ethyl 2-azanyl-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinoline-3-carboxylate

Systemtic Name: ethyl 2-azanyl-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinoline-3-carboxylate Openeye Name: ethyl 2-amino-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinoline-3-carboxylate CAS Name: 2-amino-7,7-dimethyl-4-[4-(methylthio)phenyl]-5-oxo-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinoline-3-carboxylate Traditional Name: 2-amino-5-keto-7,7-dimethyl-4-[4-(methylthio)phenyl]-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinoline-3-carboxylic acid ethyl ester Formula: C27H31N3O5S2 MolecularWeight: 541.68214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(C=C3)SC)C(=O)CC(C2)(C)C)C4=CC=C(C=C4)S(=O)(=O)N)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(C=C3)SC)C(=O)CC(C2)(C)C)C4=CC=C(C=C4)S(=O)(=O)N)N

InChI

InChI=1S/C27H31N3O5S2/c1-5-35-26(32)24-22(16-6-10-18(36-4)11-7-16)23-20(14-27(2,3)15-21(23)31)30(25(24)28)17-8-12-19(13-9-17)37(29,33)34/h6-13,22H,5,14-15,28H2,1-4H3,(H2,29,33,34)