[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[2-(2-thienyl)ethylcarbamoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[2-(2-thienyl)ethylcarbamoylamino]pyrazol-1-yl]methyl ester Formula: C16H22N4O3S MolecularWeight: 350.43588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)NCCC2=CC=CS2

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C16H22N4O3S/c1-16(2,3)14(21)23-11-20-10-12(9-18-20)19-15(22)17-7-6-13-5-4-8-24-13/h4-5,8-10H,6-7,11H2,1-3H3,(H2,17,19,22)