dimethyl 3-methyl-5-[[4-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[[4-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[4-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-(1-pyrazolylmethyl)anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[4-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(pyrazol-1-ylmethyl)phenyl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)CN3C=CC=N3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)CN3C=CC=N3)C(=O)OC

InChI

InChI=1S/C20H20N4O4S2/c1-12-15(18(25)27-2)17(30-16(12)19(26)28-3)23-20(29)22-14-7-5-13(6-8-14)11-24-10-4-9-21-24/h4-10H,11H2,1-3H3,(H2,22,23,29)