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

Systemtic Name: [(1R)-1-[(2R,3R)-2-octylsulfanyl-4-oxidanylidene-azetidin-3-yl]ethyl] hex-5-ynoate Openeye Name: [(1R)-1-[(2R,3R)-2-octylsulfanyl-4-oxo-azetidin-3-yl]ethyl] hex-5-ynoate CAS Name: 5-hexynoic acid [(1R)-1-[(2R,3R)-2-(octylthio)-4-oxo-3-azetidinyl]ethyl] ester IUPAC Name: [(1R)-1-[(2R,3R)-2-octylsulfanyl-4-oxoazetidin-3-yl]ethyl] hex-5-ynoate Traditional Name: hex-5-ynoic acid [(1R)-1-[(3R,4R)-2-keto-4-(octylthio)azetidin-3-yl]ethyl] ester Formula: C19H31NO3S MolecularWeight: 353.51934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1C(C(=O)N1)C(C)OC(=O)CCCC#C

Isomeric SMILES

CCCCCCCCS[C@@H]1[C@@H](C(=O)N1)[C@@H](C)OC(=O)CCCC#C

InChI

InChI=1S/C19H31NO3S/c1-4-6-8-9-10-12-14-24-19-17(18(22)20-19)15(3)23-16(21)13-11-7-5-2/h2,15,17,19H,4,6-14H2,1,3H3,(H,20,22)/t15-,17-,19-/m1/s1