methyl 5-[[4-[(4-ethoxy-4-oxidanylidene-butyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(4-ethoxy-4-oxidanylidene-butyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(4-ethoxy-4-oxo-butyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[[(4-ethoxy-4-oxobutyl)amino]-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(4-ethoxy-4-oxobutyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(4-ethoxy-4-keto-butyl)thiocarbamoylamino]pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CC2=CC=C(O2)C(=O)OC

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CC2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C17H22N4O5S/c1-3-25-15(22)5-4-8-18-17(27)20-12-9-19-21(10-12)11-13-6-7-14(26-13)16(23)24-2/h6-7,9-10H,3-5,8,11H2,1-2H3,(H2,18,20,27)