[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,5-dimethylpyrazol-1-yl)propanoate

Systemtic Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,5-dimethylpyrazol-1-yl)propanoate Openeye Name: [(1S)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)propanoic acid [(2S)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(3,5-dimethylpyrazol-1-yl)propanoate Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)propionic acid [(1S)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)OC(C)C(=O)NC2=C(C=CS2)C#N)C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)O[C@@H](C)C(=O)NC2=C(C=CS2)C#N)C

InChI

InChI=1S/C16H18N4O3S/c1-10-8-11(2)20(19-10)6-4-14(21)23-12(3)15(22)18-16-13(9-17)5-7-24-16/h5,7-8,12H,4,6H2,1-3H3,(H,18,22)/t12-/m0/s1