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

Systemtic Name: methyl 3-[[(2-methylpyrazol-3-yl)carbonylamino]methyl]-5-(2-thiophen-3-ylethanoylamino)benzoate Openeye Name: methyl 3-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoate CAS Name: 3-[[[(2-methyl-3-pyrazolyl)-oxomethyl]amino]methyl]-5-[[1-oxo-2-(3-thiophenyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-5-[(2-thiophen-3-ylacetyl)amino]benzoate Traditional Name: 3-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoic acid methyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)NC(=O)CC3=CSC=C3

Isomeric SMILES

CN1C(=CC=N1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)NC(=O)CC3=CSC=C3

InChI

InChI=1S/C20H20N4O4S/c1-24-17(3-5-22-24)19(26)21-11-14-7-15(20(27)28-2)10-16(8-14)23-18(25)9-13-4-6-29-12-13/h3-8,10,12H,9,11H2,1-2H3,(H,21,26)(H,23,25)