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

Systemtic Name: diethyl 5-[(3-aminocarbonyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(3-carbamoyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(3-carbamoyl-1-methyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3-carbamoyl-1-methyl-pyrazol-4-yl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H21N5O5S2 MolecularWeight: 439.50914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CN(N=C2C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CN(N=C2C(=O)N)C

InChI

InChI=1S/C17H21N5O5S2/c1-5-26-15(24)10-8(3)12(16(25)27-6-2)29-14(10)20-17(28)19-9-7-22(4)21-11(9)13(18)23/h7H,5-6H2,1-4H3,(H2,18,23)(H2,19,20,28)