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

Systemtic Name: [2-(2-methoxyethylamino)-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate Openeye Name: [2-(2-methoxyethylamino)-2-oxo-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetate CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]acetic acid [2-(2-methoxyethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetate Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetic acid [2-keto-2-(2-methoxyethylamino)ethyl] ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)OCC(=O)NCCOC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)OCC(=O)NCCOC

InChI

InChI=1S/C18H23N3O4S/c1-13-18(14(2)21(20-13)15-7-5-4-6-8-15)26-12-17(23)25-11-16(22)19-9-10-24-3/h4-8H,9-12H2,1-3H3,(H,19,22)