methyl 4-methyl-3-[2-[2-(2-oxidanylidenepropylsulfanyl)phenyl]carbonyloxyethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[2-(2-oxidanylidenepropylsulfanyl)phenyl]carbonyloxyethanoylamino]benzoate Openeye Name: methyl 3-[[2-(2-acetonylsulfanylbenzoyl)oxyacetyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[oxo-[2-(2-oxopropylthio)phenyl]methoxy]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[2-(2-oxopropylsulfanyl)benzoyl]oxyacetyl]amino]benzoate Traditional Name: 3-[[2-[2-(acetonylthio)benzoyl]oxyacetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)C

InChI

InChI=1S/C21H21NO6S/c1-13-8-9-15(20(25)27-3)10-17(13)22-19(24)11-28-21(26)16-6-4-5-7-18(16)29-12-14(2)23/h4-10H,11-12H2,1-3H3,(H,22,24)