[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 3,5-dimethoxy-4-methyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 3,5-dimethoxy-4-methyl-benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 3,5-dimethoxy-4-methyl-benzoate CAS Name: 3,5-dimethoxy-4-methylbenzoic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 3,5-dimethoxy-4-methylbenzoate Traditional Name: 3,5-dimethoxy-4-methyl-benzoic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)OCC(=O)NC(=O)CCSC2=CC=CC=C2)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)OCC(=O)NC(=O)CCSC2=CC=CC=C2)OC

InChI

InChI=1S/C21H23NO6S/c1-14-17(26-2)11-15(12-18(14)27-3)21(25)28-13-20(24)22-19(23)9-10-29-16-7-5-4-6-8-16/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,23,24)