[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-1-methyl-2-oxo-ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [1-[5-(acetamidomethyl)-2-thiophenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OC(C)C(=O)C3=CC=C(S3)CNC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OC(C)C(=O)C3=CC=C(S3)CNC(=O)C

InChI

InChI=1S/C21H21N3O4S/c1-12-4-6-15(7-5-12)17-10-18(24-23-17)21(27)28-13(2)20(26)19-9-8-16(29-19)11-22-14(3)25/h4-10,13H,11H2,1-3H3,(H,22,25)(H,23,24)