(4-pyrazol-1-ylphenyl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)NC(=O)C)C

InChI

InChI=1S/C19H19N3O3S/c1-12-13(2)26-18(21-14(3)23)17(12)19(24)25-11-15-5-7-16(8-6-15)22-10-4-9-20-22/h4-10H,11H2,1-3H3,(H,21,23)