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

Systemtic Name: diethyl 5-[(3-aminocarbonyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(3-carbamoyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(3-carbamoyl-1-ethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3-carbamoyl-1-ethyl-pyrazol-4-yl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H23N5O5S2 MolecularWeight: 453.53572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O5S2/c1-5-23-8-10(12(22-23)14(19)24)20-18(29)21-15-11(16(25)27-6-2)9(4)13(30-15)17(26)28-7-3/h8H,5-7H2,1-4H3,(H2,19,24)(H2,20,21,29)