[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [(1R)-2-amino-2-oxo-1-phenyl-ethyl] 1-isobutyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-(2-methylpropyl)-5-thieno[2,3-c]pyrazolecarboxylic acid [(1R)-2-amino-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-amino-2-oxo-1-phenylethyl] 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-isobutyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid [(1R)-2-amino-2-keto-1-phenyl-ethyl] ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC(C3=CC=CC=C3)C(=O)N)CC(C)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)O[C@H](C3=CC=CC=C3)C(=O)N)CC(C)C

InChI

InChI=1S/C19H21N3O3S/c1-11(2)10-22-18-14(12(3)21-22)9-15(26-18)19(24)25-16(17(20)23)13-7-5-4-6-8-13/h4-9,11,16H,10H2,1-3H3,(H2,20,23)/t16-/m1/s1