2-[2-[[6-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)pyridin-3-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[[6-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)pyridin-3-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[[6-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)-3-pyridyl]amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[[6-(4-ethoxycarbonyl-3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]amino]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[[6-(4-ethoxycarbonyl-3,5-dimethylpyrazol-1-yl)pyridin-3-yl]amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[[6-(4-carbethoxy-3,5-dimethyl-pyrazol-1-yl)-3-pyridyl]amino]-2-keto-ethyl]thio]acetate Formula: C17H19N4O5S- MolecularWeight: 391.42156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=NC=C(C=C2)NC(=O)CSCC(=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=NC=C(C=C2)NC(=O)CSCC(=O)[O-])C

InChI

InChI=1S/C17H20N4O5S/c1-4-26-17(25)16-10(2)20-21(11(16)3)13-6-5-12(7-18-13)19-14(22)8-27-9-15(23)24/h5-7H,4,8-9H2,1-3H3,(H,19,22)(H,23,24)/p-1