methyl 5-[[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-(2-thienyl)ethylcarbamoylamino]pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-(2-thienyl)ethylcarbamoylamino]pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=O)NCCC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C17H18N4O4S/c1-24-16(22)15-5-4-13(25-15)11-21-10-12(9-19-21)20-17(23)18-7-6-14-3-2-8-26-14/h2-5,8-10H,6-7,11H2,1H3,(H2,18,20,23)