ethyl 4-[[2-oxidanylidene-1-(2-oxidanylideneazetidin-1-yl)-2-(6-phenylhexylamino)ethyl]sulfinylmethyl]benzoate

Systemtic Name: ethyl 4-[[2-oxidanylidene-1-(2-oxidanylideneazetidin-1-yl)-2-(6-phenylhexylamino)ethyl]sulfinylmethyl]benzoate Openeye Name: ethyl 4-[[2-oxo-1-(2-oxoazetidin-1-yl)-2-(6-phenylhexylamino)ethyl]sulfinylmethyl]benzoate CAS Name: 4-[[2-oxo-1-(2-oxo-1-azetidinyl)-2-(6-phenylhexylamino)ethyl]sulfinylmethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-oxo-1-(2-oxoazetidin-1-yl)-2-(6-phenylhexylamino)ethyl]sulfinylmethyl]benzoate Traditional Name: 4-[[2-keto-1-(2-ketoazetidin-1-yl)-2-(6-phenylhexylamino)ethyl]sulfinylmethyl]benzoic acid ethyl ester Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CS(=O)C(C(=O)NCCCCCCC2=CC=CC=C2)N3CCC3=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CS(=O)C(C(=O)NCCCCCCC2=CC=CC=C2)N3CCC3=O

InChI

InChI=1S/C27H34N2O5S/c1-2-34-27(32)23-15-13-22(14-16-23)20-35(33)26(29-19-17-24(29)30)25(31)28-18-9-4-3-6-10-21-11-7-5-8-12-21/h5,7-8,11-16,26H,2-4,6,9-10,17-20H2,1H3,(H,28,31)