dimethyl 2-[[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-methylsulfanyl-methylidene]propanedioate

Systemtic Name: dimethyl 2-[[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-methylsulfanyl-methylidene]propanedioate Openeye Name: dimethyl 2-[[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-methylsulfanyl-methylene]propanedioate CAS Name: 2-[[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-(methylthio)methylidene]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-methylsulfanylmethylidene]propanedioate Traditional Name: 2-[[(4-carbethoxy-1H-pyrazol-5-yl)amino]-(methylthio)methylene]malonic acid dimethyl ester Formula: C13H17N3O6S MolecularWeight: 343.35558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)NC(=C(C(=O)OC)C(=O)OC)SC

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)NC(=C(C(=O)OC)C(=O)OC)SC

InChI

InChI=1S/C13H17N3O6S/c1-5-22-11(17)7-6-14-16-9(7)15-10(23-4)8(12(18)20-2)13(19)21-3/h6H,5H2,1-4H3,(H2,14,15,16)