[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S/c1-12(17(22)19-11-14-8-5-9-25-14)24-18(23)16-10-15(20-21-16)13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)