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

Systemtic Name: 2-[2-[[4-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[4-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)anilino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[4-(4-ethoxycarbonyl-3,5-dimethyl-1-pyrazolyl)anilino]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[4-(4-ethoxycarbonyl-3,5-dimethylpyrazol-1-yl)anilino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[4-(4-carbethoxy-3,5-dimethyl-pyrazol-1-yl)anilino]-2-keto-ethyl]thio]acetate Formula: C18H20N3O5S- MolecularWeight: 390.4335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-4-26-18(25)17-11(2)20-21(12(17)3)14-7-5-13(6-8-14)19-15(22)9-27-10-16(23)24/h5-8H,4,9-10H2,1-3H3,(H,19,22)(H,23,24)/p-1