dimethyl 5-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(1-ethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(1-ethylpyrazol-4-yl)methylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CCN1C=C(C=N1)CNC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C16H20N4O4S2/c1-5-20-8-10(7-18-20)6-17-16(25)19-13-11(14(21)23-3)9(2)12(26-13)15(22)24-4/h7-8H,5-6H2,1-4H3,(H2,17,19,25)