O1-ethyl O4-(2-sulfanylidenepyridin-1-yl) 2-[2-oxidanylidene-4-(phenylmethyl)selanyl-azetidin-1-yl]butanedioate

Systemtic Name: O1-ethyl O4-(2-sulfanylidenepyridin-1-yl) 2-[2-oxidanylidene-4-(phenylmethyl)selanyl-azetidin-1-yl]butanedioate Openeye Name: O1-ethyl O4-(2-thioxo-1-pyridyl) 2-(2-benzylselanyl-4-oxo-azetidin-1-yl)butanedioate CAS Name: 2-[2-oxo-4-[(phenylmethyl)seleno]-1-azetidinyl]butanedioic acid O1-ethyl ester O4-(2-sulfanylidene-1-pyridinyl) ester IUPAC Name: 1-O-ethyl 4-O-(2-sulfanylidenepyridin-1-yl) 2-(2-benzylselanyl-4-oxoazetidin-1-yl)butanedioate Traditional Name: 2-[2-(benzylseleno)-4-keto-azetidin-1-yl]succinic acid O1-ethyl ester O4-(2-thioxo-1-pyridyl) ester Formula: C21H22N2O5SSe MolecularWeight: 493.43478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)ON1C=CC=CC1=S)N2C(CC2=O)[Se]CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CC(=O)ON1C=CC=CC1=S)N2C(CC2=O)[Se]CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5SSe/c1-2-27-21(26)16(12-20(25)28-22-11-7-6-10-18(22)29)23-17(24)13-19(23)30-14-15-8-4-3-5-9-15/h3-11,16,19H,2,12-14H2,1H3