[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] 1,3,5-trimethylpyrazole-4-carboxylate

Systemtic Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-1-methyl-2-oxo-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [1-[5-(acetamidomethyl)-2-thiophenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-1-methyl-ethyl] ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)OC(C)C(=O)C2=CC=C(S2)CNC(=O)C

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)OC(C)C(=O)C2=CC=C(S2)CNC(=O)C

InChI

InChI=1S/C17H21N3O4S/c1-9-15(10(2)20(5)19-9)17(23)24-11(3)16(22)14-7-6-13(25-14)8-18-12(4)21/h6-7,11H,8H2,1-5H3,(H,18,21)