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

Systemtic Name: dimethyl 3-methyl-5-[(4-methylpyrazol-1-yl)carbothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-methyl-1-pyrazolyl)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C14H15N3O4S2 MolecularWeight: 353.4166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1)C(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1=CN(N=C1)C(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C14H15N3O4S2/c1-7-5-15-17(6-7)14(22)16-11-9(12(18)20-3)8(2)10(23-11)13(19)21-4/h5-6H,1-4H3,(H,16,22)