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

Systemtic Name: ethyl 4-[[1-acetamido-2-oxidanylidene-3-(6-phenylhexyl)azetidin-3-yl]sulfinylmethyl]benzoate Openeye Name: ethyl 4-[[1-acetamido-2-oxo-3-(6-phenylhexyl)azetidin-3-yl]sulfinylmethyl]benzoate CAS Name: 4-[[1-acetamido-2-oxo-3-(6-phenylhexyl)-3-azetidinyl]sulfinylmethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-acetamido-2-oxo-3-(6-phenylhexyl)azetidin-3-yl]sulfinylmethyl]benzoate Traditional Name: 4-[[1-acetamido-2-keto-3-(6-phenylhexyl)azetidin-3-yl]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)C2(CN(C2=O)NC(=O)C)CCCCCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O5S/c1-3-34-25(31)24-16-14-23(15-17-24)19-35(33)27(20-29(26(27)32)28-21(2)30)18-10-5-4-7-11-22-12-8-6-9-13-22/h6,8-9,12-17H,3-5,7,10-11,18-20H2,1-2H3,(H,28,30)