ethyl 4-[[2-oxidanylidene-1-(6-phenylhexyl)azetidin-3-yl]sulfinylmethyl]benzoate

Systemtic Name: ethyl 4-[[2-oxidanylidene-1-(6-phenylhexyl)azetidin-3-yl]sulfinylmethyl]benzoate Openeye Name: ethyl 4-[[2-oxo-1-(6-phenylhexyl)azetidin-3-yl]sulfinylmethyl]benzoate CAS Name: 4-[[2-oxo-1-(6-phenylhexyl)-3-azetidinyl]sulfinylmethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-oxo-1-(6-phenylhexyl)azetidin-3-yl]sulfinylmethyl]benzoate Traditional Name: 4-[[2-keto-1-(6-phenylhexyl)azetidin-3-yl]sulfinylmethyl]benzoic acid ethyl ester Formula: C25H31NO4S MolecularWeight: 441.58294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CS(=O)C2CN(C2=O)CCCCCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CS(=O)C2CN(C2=O)CCCCCCC3=CC=CC=C3

InChI

InChI=1S/C25H31NO4S/c1-2-30-25(28)22-15-13-21(14-16-22)19-31(29)23-18-26(24(23)27)17-9-4-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-16,23H,2-4,6,9-10,17-19H2,1H3