(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(2-oxidanylidene-1,3-thiazolidin-3-yl)propanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(2-oxidanylidene-1,3-thiazolidin-3-yl)propanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(2-oxothiazolidin-3-yl)propanoate CAS Name: 3-(2-oxo-3-thiazolidinyl)propanoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate Traditional Name: 3-(2-ketothiazolidin-3-yl)propionic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)CCN2CCSC2=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)CCN2CCSC2=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3S/c1-13-15(11-19)16(22(20-13)14-5-3-2-4-6-14)12-25-17(23)7-8-21-9-10-26-18(21)24/h2-6H,7-10,12H2,1H3