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

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate Openeye Name: [2-(ethoxycarbonylamino)-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-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-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-(carbethoxyamino)-2-keto-ethyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)CSC1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)CSC1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

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