[2-[[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: [2-[[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [2-[[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [2-[[2-[(3-chlorophenyl)methyl]-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [2-[[2-(3-chlorobenzyl)pyrazol-3-yl]amino]-2-keto-ethyl] ester Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCC(=O)NC2=CC=NN2CC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCC(=O)NC2=CC=NN2CC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C21H22ClN3O3S/c1-3-5-16-11-18(29-14(16)2)21(27)28-13-20(26)24-19-8-9-23-25(19)12-15-6-4-7-17(22)10-15/h4,6-11H,3,5,12-13H2,1-2H3,(H,24,26)