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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate Openeye Name: [2-oxo-2-(propylamino)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-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 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-(propylamino)ethyl] ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)CSC1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCCNC(=O)COC(=O)CSC1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C18H23N3O3S/c1-4-10-19-16(22)11-24-17(23)12-25-18-13(2)20-21(14(18)3)15-8-6-5-7-9-15/h5-9H,4,10-12H2,1-3H3,(H,19,22)