[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-(4-isopropoxycarbonylanilino)-2-keto-ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)SC)OC

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)SC)OC

InChI

InChI=1S/C21H23NO6S/c1-13(2)28-20(24)14-5-7-15(8-6-14)22-19(23)12-27-21(25)17-10-9-16(29-4)11-18(17)26-3/h5-11,13H,12H2,1-4H3,(H,22,23)