diethyl 3-methyl-5-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[1-(o-tolylmethyl)pyrazol-3-yl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[1-[(2-methylphenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[1-(2-methylbenzyl)pyrazol-3-yl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3C

InChI

InChI=1S/C23H26N4O4S2/c1-5-30-21(28)18-15(4)19(22(29)31-6-2)33-20(18)25-23(32)24-17-11-12-27(26-17)13-16-10-8-7-9-14(16)3/h7-12H,5-6,13H2,1-4H3,(H2,24,25,26,32)