methyl 5-[[4-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(2-methoxycarbonyl-3-thienyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[[(2-methoxycarbonyl-3-thiophenyl)amino]-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(2-carbomethoxy-3-thienyl)thiocarbamoylamino]pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C17H16N4O5S2 MolecularWeight: 420.46274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=S)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=S)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C17H16N4O5S2/c1-24-15(22)13-4-3-11(26-13)9-21-8-10(7-18-21)19-17(27)20-12-5-6-28-14(12)16(23)25-2/h3-8H,9H2,1-2H3,(H2,19,20,27)