[4-[(3-chloranyl-4-methylsulfonyl-thiophen-2-yl)carbonylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[(3-chloranyl-4-methylsulfonyl-thiophen-2-yl)carbonylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[(3-chloro-4-methylsulfonyl-thiophene-2-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[(3-chloro-4-methylsulfonyl-2-thiophenyl)-oxomethyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[(3-chloro-4-methylsulfonylthiophene-2-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[(3-chloro-4-mesyl-thiophene-2-carbonyl)amino]pyrazol-1-yl]methyl ester Formula: C15H18ClN3O5S2 MolecularWeight: 419.90352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)C2=C(C(=CS2)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)C2=C(C(=CS2)S(=O)(=O)C)Cl

InChI

InChI=1S/C15H18ClN3O5S2/c1-15(2,3)14(21)24-8-19-6-9(5-17-19)18-13(20)12-11(16)10(7-25-12)26(4,22)23/h5-7H,8H2,1-4H3,(H,18,20)