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

Systemtic Name: dimethyl 5-[(5-aminocarbonyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(5-carbamoyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(5-carbamoyl-1-ethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-carbamoyl-1-ethylpyrazol-4-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(5-carbamoyl-1-ethyl-pyrazol-4-yl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H19N5O5S2 MolecularWeight: 425.48256

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)C(=O)N

Isomeric SMILES

CCN1C(=C(C=N1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)C(=O)N

InChI

InChI=1S/C16H19N5O5S2/c1-5-21-10(12(17)22)8(6-18-21)19-16(27)20-13-9(14(23)25-3)7(2)11(28-13)15(24)26-4/h6H,5H2,1-4H3,(H2,17,22)(H2,19,20,27)