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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]acetic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]acetic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H23NO5S MolecularWeight: 401.47602

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-14-4-7-18(8-5-14)22-20(24)12-28-13-21(25)27-11-17-10-16(15(2)23)6-9-19(17)26-3/h4-10H,11-13H2,1-3H3,(H,22,24)