[(1R)-1-[(3R,4R)-2-oxidanylidene-4-(phenylmethylsulfanyl)azetidin-3-yl]ethyl] hex-5-ynoate

Systemtic Name: [(1R)-1-[(3R,4R)-2-oxidanylidene-4-(phenylmethylsulfanyl)azetidin-3-yl]ethyl] hex-5-ynoate Openeye Name: [(1R)-1-[(2R,3R)-2-benzylsulfanyl-4-oxo-azetidin-3-yl]ethyl] hex-5-ynoate CAS Name: 5-hexynoic acid [(1R)-1-[(3R,4R)-2-oxo-4-(phenylmethylthio)-3-azetidinyl]ethyl] ester IUPAC Name: [(1R)-1-[(2R,3R)-2-benzylsulfanyl-4-oxoazetidin-3-yl]ethyl] hex-5-ynoate Traditional Name: hex-5-ynoic acid [(1R)-1-[(2R,3R)-2-(benzylthio)-4-keto-azetidin-3-yl]ethyl] ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(NC1=O)SCC2=CC=CC=C2)OC(=O)CCCC#C

Isomeric SMILES

C[C@H]([C@H]1[C@H](NC1=O)SCC2=CC=CC=C2)OC(=O)CCCC#C

InChI

InChI=1S/C18H21NO3S/c1-3-4-6-11-15(20)22-13(2)16-17(21)19-18(16)23-12-14-9-7-5-8-10-14/h1,5,7-10,13,16,18H,4,6,11-12H2,2H3,(H,19,21)/t13-,16-,18-/m1/s1