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

Systemtic Name: diethyl 5-[[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(1-benzyl-4-chloro-pyrazol-3-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[4-chloro-1-(phenylmethyl)-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(1-benzyl-4-chloropyrazol-3-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(1-benzyl-4-chloro-pyrazol-3-yl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H23ClN4O4S2 MolecularWeight: 507.02542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H23ClN4O4S2/c1-4-30-20(28)16-13(3)17(21(29)31-5-2)33-19(16)25-22(32)24-18-15(23)12-27(26-18)11-14-9-7-6-8-10-14/h6-10,12H,4-5,11H2,1-3H3,(H2,24,25,26,32)