(1-phenylpyrazol-4-yl)methyl 2-(cyclopropylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 2-(cyclopropylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: (1-phenylpyrazol-4-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC2=CN(N=C2)C3=CC=CC=C3)NC(=O)C4CC4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC2=CN(N=C2)C3=CC=CC=C3)NC(=O)C4CC4)C

InChI

InChI=1S/C21H21N3O3S/c1-13-14(2)28-20(23-19(25)16-8-9-16)18(13)21(26)27-12-15-10-22-24(11-15)17-6-4-3-5-7-17/h3-7,10-11,16H,8-9,12H2,1-2H3,(H,23,25)