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

Systemtic Name: dimethyl 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[sulfanylidene-[(1,3,5-trimethyl-4-pyrazolyl)methylamino]methyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylthiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=C(N(N=C2C)C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=C(N(N=C2C)C)C)C(=O)OC

InChI

InChI=1S/C17H22N4O4S2/c1-8-12(15(22)24-5)14(27-13(8)16(23)25-6)19-17(26)18-7-11-9(2)20-21(4)10(11)3/h7H2,1-6H3,(H2,18,19,26)