ethyl 5-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxobutyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-[(4,8-dimethyl-2-quinolyl)thio]butanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C27H28N4O3S MolecularWeight: 488.60122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)SC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)SC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C27H28N4O3S/c1-5-22(35-23-15-18(4)20-14-10-11-17(3)24(20)29-23)26(32)30-25-21(27(33)34-6-2)16-28-31(25)19-12-8-7-9-13-19/h7-16,22H,5-6H2,1-4H3,(H,30,32)