ethyl 4-[4-[(2-oxidanylidene-4-sulfanyl-pyrrolidin-1-yl)methyl]phenoxy]benzoate

Systemtic Name: ethyl 4-[4-[(2-oxidanylidene-4-sulfanyl-pyrrolidin-1-yl)methyl]phenoxy]benzoate Openeye Name: ethyl 4-[4-[(2-oxo-4-sulfanyl-pyrrolidin-1-yl)methyl]phenoxy]benzoate CAS Name: 4-[4-[(4-mercapto-2-oxo-1-pyrrolidinyl)methyl]phenoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]phenoxy]benzoate Traditional Name: 4-[4-[(2-keto-4-mercapto-pyrrolidino)methyl]phenoxy]benzoic acid ethyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)CN3CC(CC3=O)S

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)CN3CC(CC3=O)S

InChI

InChI=1S/C20H21NO4S/c1-2-24-20(23)15-5-9-17(10-6-15)25-16-7-3-14(4-8-16)12-21-13-18(26)11-19(21)22/h3-10,18,26H,2,11-13H2,1H3