[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid [(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)OC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-15(21(26)23-16-8-5-6-9-16)28-22(27)18-14-25(17-10-3-2-4-11-17)24-20(18)19-12-7-13-29-19/h2-4,7,10-16H,5-6,8-9H2,1H3,(H,23,26)/t15-/m1/s1