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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate Openeye Name: [2-(1-ethylpropylamino)-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-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)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-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-5-16(6-2)21-18(24)12-26-19(25)13-27-20-14(3)22-23(15(20)4)17-10-8-7-9-11-17/h7-11,16H,5-6,12-13H2,1-4H3,(H,21,24)