methyl 4-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoyloxymethyl]benzoate Openeye Name: methyl 4-[[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylacetyl]oxymethyl]benzoate CAS Name: 4-[[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate Traditional Name: 4-[[2-[[2-keto-2-(p-toluidino)ethyl]thio]acetyl]oxymethyl]benzoic acid methyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-14-3-9-17(10-4-14)21-18(22)12-27-13-19(23)26-11-15-5-7-16(8-6-15)20(24)25-2/h3-10H,11-13H2,1-2H3,(H,21,22)