[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)C

InChI

InChI=1S/C23H27NO4S/c1-15(2)11-22(26)24-19-8-6-18(7-9-19)21(25)13-28-23(27)14-29-20-10-5-16(3)17(4)12-20/h5-10,12,15H,11,13-14H2,1-4H3,(H,24,26)