methyl 5-[[4-[(2-ethylsulfanylpyridin-3-yl)carbonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(2-ethylsulfanylpyridin-3-yl)carbonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(2-ethylsulfanylpyridine-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[[2-(ethylthio)-3-pyridinyl]-oxomethyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(2-ethylsulfanylpyridine-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[[2-(ethylthio)nicotinoyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)NC2=CN(N=C2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)NC2=CN(N=C2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C18H18N4O4S/c1-3-27-17-14(5-4-8-19-17)16(23)21-12-9-20-22(10-12)11-13-6-7-15(26-13)18(24)25-2/h4-10H,3,11H2,1-2H3,(H,21,23)