(5-ethanoyl-2-methoxy-phenyl)methyl 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]acetic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]acetic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)OCC2=C(C=CC(=C2)C(=O)C)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)OCC2=C(C=CC(=C2)C(=O)C)OC)C

InChI

InChI=1S/C22H25NO5S/c1-14-5-7-19(15(2)9-14)23-21(25)12-29-13-22(26)28-11-18-10-17(16(3)24)6-8-20(18)27-4/h5-10H,11-13H2,1-4H3,(H,23,25)