[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(isopropylamino)-1-methyl-2-oxo-ethyl] 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxylic acid [1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylic acid [2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)C(C)OC(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-14(2)22-20(25)15(3)27-21(26)17-13-24(12-16-8-5-4-6-9-16)23-19(17)18-10-7-11-28-18/h4-11,13-15H,12H2,1-3H3,(H,22,25)