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

Systemtic Name: diethyl 3-methyl-5-[[1-(phenylmethyl)pyrazol-3-yl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(1-benzylpyrazol-3-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[1-(phenylmethyl)-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(1-benzylpyrazol-3-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(1-benzylpyrazol-3-yl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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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=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O4S2/c1-4-29-20(27)17-14(3)18(21(28)30-5-2)32-19(17)24-22(31)23-16-11-12-26(25-16)13-15-9-7-6-8-10-15/h6-12H,4-5,13H2,1-3H3,(H2,23,24,25,31)