ethyl 5-methyl-1-[3-[3-(2-oxidanylidene-1,3-thiazolidin-3-yl)propanoylamino]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[3-[3-(2-oxidanylidene-1,3-thiazolidin-3-yl)propanoylamino]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[3-[3-(2-oxothiazolidin-3-yl)propanoylamino]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[3-[[1-oxo-3-(2-oxo-3-thiazolidinyl)propyl]amino]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[3-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]phenyl]pyrazole-4-carboxylate Traditional Name: 1-[3-[3-(2-ketothiazolidin-3-yl)propanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CCN3CCSC3=O)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CCN3CCSC3=O)C

InChI

InChI=1S/C19H22N4O4S/c1-3-27-18(25)16-12-20-23(13(16)2)15-6-4-5-14(11-15)21-17(24)7-8-22-9-10-28-19(22)26/h4-6,11-12H,3,7-10H2,1-2H3,(H,21,24)