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

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3,5-dimethoxy-4-methyl-benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3,5-dimethoxy-4-methyl-benzoate CAS Name: 3,5-dimethoxy-4-methylbenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3,5-dimethoxy-4-methylbenzoate Traditional Name: 3,5-dimethoxy-4-methyl-benzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)OCC(=O)NCCCSC2=CC=CC=C2)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)OCC(=O)NCCCSC2=CC=CC=C2)OC

InChI

InChI=1S/C21H25NO5S/c1-15-18(25-2)12-16(13-19(15)26-3)21(24)27-14-20(23)22-10-7-11-28-17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,22,23)