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

Systemtic Name: methyl 5-[[4-[(3-ethoxycarbonylphenyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(3-ethoxycarbonylphenyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[(3-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(3-ethoxycarbonylphenyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(3-carbethoxyphenyl)thiocarbamoylamino]pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2=CN(N=C2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2=CN(N=C2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C20H20N4O5S/c1-3-28-18(25)13-5-4-6-14(9-13)22-20(30)23-15-10-21-24(11-15)12-16-7-8-17(29-16)19(26)27-2/h4-11H,3,12H2,1-2H3,(H2,22,23,30)