[2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-oxo-2-[4-(2-oxo-1-pyrrolidinyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-keto-2-[4-(2-ketopyrrolidino)phenyl]ethyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C21H21NO5S/c1-26-19-12-16(28-2)9-10-17(19)21(25)27-13-18(23)14-5-7-15(8-6-14)22-11-3-4-20(22)24/h5-10,12H,3-4,11,13H2,1-2H3