methyl 3-[(2,5-dimethylpyrazol-3-yl)carbonylamino]-5-[(2-thiophen-2-ylethanoylamino)methyl]benzoate

Systemtic Name: methyl 3-[(2,5-dimethylpyrazol-3-yl)carbonylamino]-5-[(2-thiophen-2-ylethanoylamino)methyl]benzoate Openeye Name: methyl 3-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-[[[2-(2-thienyl)acetyl]amino]methyl]benzoate CAS Name: 3-[[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-5-[[(1-oxo-2-thiophen-2-ylethyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-[[(2-thiophen-2-ylacetyl)amino]methyl]benzoate Traditional Name: 3-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-[[[2-(2-thienyl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC(=CC(=C2)CNC(=O)CC3=CC=CS3)C(=O)OC)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC(=CC(=C2)CNC(=O)CC3=CC=CS3)C(=O)OC)C

InChI

InChI=1S/C21H22N4O4S/c1-13-7-18(25(2)24-13)20(27)23-16-9-14(8-15(10-16)21(28)29-3)12-22-19(26)11-17-5-4-6-30-17/h4-10H,11-12H2,1-3H3,(H,22,26)(H,23,27)