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

Systemtic Name: ethyl 5-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanoylamino]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxobutyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[2-[(4,8-dimethyl-2-quinolyl)thio]butanoylamino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H26N4O3S MolecularWeight: 426.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)SC2=NC3=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)SC2=NC3=C(C=CC=C3C)C(=C2)C

InChI

InChI=1S/C22H26N4O3S/c1-6-17(21(27)25-20-16(12-23-26(20)5)22(28)29-7-2)30-18-11-14(4)15-10-8-9-13(3)19(15)24-18/h8-12,17H,6-7H2,1-5H3,(H,25,27)