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

Systemtic Name: [(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(cyclohexylamino)-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-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylamino)-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-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)OC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S/c1-16(22(27)24-17-9-4-2-5-10-17)29-23(28)19-15-26(18-11-6-3-7-12-18)25-21(19)20-13-8-14-30-20/h3,6-8,11-17H,2,4-5,9-10H2,1H3,(H,24,27)/t16-/m1/s1