ethyl 1-phenyl-5-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-phenyl-5-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-phenyl-5-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]butanoylamino]pyrazole-4-carboxylate CAS Name: 5-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]butyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-phenyl-5-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]pyrazole-4-carboxylate Traditional Name: 1-phenyl-5-[2-[(4,6,8-trimethyl-2-quinolyl)thio]butanoylamino]pyrazole-4-carboxylic acid ethyl ester Formula: C28H30N4O3S MolecularWeight: 502.6278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O3S/c1-6-23(36-24-15-18(4)21-14-17(3)13-19(5)25(21)30-24)27(33)31-26-22(28(34)35-7-2)16-29-32(26)20-11-9-8-10-12-20/h8-16,23H,6-7H2,1-5H3,(H,31,33)