[(1R)-1-cyanoethyl] 2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: [(1R)-1-cyanoethyl] 2-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]thio]acetic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl]thio]acetic acid [(1R)-1-cyanoethyl] ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCC(=O)OC(C)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCC(=O)O[C@H](C)C#N

InChI

InChI=1S/C18H20N4O4S/c1-12(9-19)26-16(24)11-27-10-15(23)20-17-13(2)21(3)22(18(17)25)14-7-5-4-6-8-14/h4-8,12H,10-11H2,1-3H3,(H,20,23)/t12-/m1/s1