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

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C20H19N3O3S/c1-13(19(24)21-14-9-10-14)26-20(25)17-12-16(18-8-5-11-27-18)22-23(17)15-6-3-2-4-7-15/h2-8,11-14H,9-10H2,1H3,(H,21,24)/t13-/m1/s1