ethyl 1-(4-methylquinolin-2-yl)-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-methylquinolin-2-yl)-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-methyl-2-quinolyl)-5-(2-thienylsulfonylamino)pyrazole-4-carboxylate CAS Name: 1-(4-methyl-2-quinolinyl)-5-(thiophen-2-ylsulfonylamino)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylquinolin-2-yl)-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate Traditional Name: 1-(4-methyl-2-quinolyl)-5-(2-thienylsulfonylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C20H18N4O4S2 MolecularWeight: 442.51132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C(=C2)C)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C(=C2)C)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H18N4O4S2/c1-3-28-20(25)15-12-21-24(19(15)23-30(26,27)18-9-6-10-29-18)17-11-13(2)14-7-4-5-8-16(14)22-17/h4-12,23H,3H2,1-2H3