[(2R)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfanylmethyl)benzoate

Systemtic Name: [(2R)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfanylmethyl)benzoate Openeye Name: [(1R)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethyl] 3-(methylsulfanylmethyl)benzoate CAS Name: 3-[(methylthio)methyl]benzoic acid [(2R)-1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-(methylsulfanylmethyl)benzoate Traditional Name: 3-[(methylthio)methyl]benzoic acid [(1R)-2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-methyl-ethyl] ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC(=CC=C3)CSC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@@H](C)OC(=O)C3=CC(=CC=C3)CSC

InChI

InChI=1S/C23H25N3O4S/c1-15-20(22(28)26(25(15)3)19-11-6-5-7-12-19)24-21(27)16(2)30-23(29)18-10-8-9-17(13-18)14-31-4/h5-13,16H,14H2,1-4H3,(H,24,27)/t16-/m1/s1