(phenylmethyl) [(3S,4R)-3-ethylsulfanyl-2-oxidanylidene-4-(2-phenylethynyl)-1-(phenylmethyl)azetidin-3-yl]sulfanylmethanoate

Systemtic Name: (phenylmethyl) [(3S,4R)-3-ethylsulfanyl-2-oxidanylidene-4-(2-phenylethynyl)-1-(phenylmethyl)azetidin-3-yl]sulfanylmethanoate Openeye Name: benzyl [(3S,4R)-1-benzyl-3-ethylsulfanyl-2-oxo-4-(2-phenylethynyl)azetidin-3-yl]sulfanylformate CAS Name: [[(3S,4R)-3-(ethylthio)-2-oxo-4-(2-phenylethynyl)-1-(phenylmethyl)-3-azetidinyl]thio]formic acid (phenylmethyl) ester IUPAC Name: benzyl [(3S,4R)-1-benzyl-3-ethylsulfanyl-2-oxo-4-(2-phenylethynyl)azetidin-3-yl]sulfanylformate Traditional Name: [[(3S,4R)-1-benzyl-3-(ethylthio)-2-keto-4-(2-phenylethynyl)azetidin-3-yl]thio]formic acid benzyl ester Formula: C28H25NO3S2 MolecularWeight: 487.633

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1(C(N(C1=O)CC2=CC=CC=C2)C#CC3=CC=CC=C3)SC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCS[C@@]1([C@H](N(C1=O)CC2=CC=CC=C2)C#CC3=CC=CC=C3)SC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H25NO3S2/c1-2-33-28(34-27(31)32-21-24-16-10-5-11-17-24)25(19-18-22-12-6-3-7-13-22)29(26(28)30)20-23-14-8-4-9-15-23/h3-17,25H,2,20-21H2,1H3/t25-,28+/m1/s1