S-[(2R,3R)-4-oxidanylidene-3-(2-oxidanylideneheptyl)azetidin-2-yl] 2-phenoxyethanethioate

Systemtic Name: S-[(2R,3R)-4-oxidanylidene-3-(2-oxidanylideneheptyl)azetidin-2-yl] 2-phenoxyethanethioate Openeye Name: S-[(2R,3R)-4-oxo-3-(2-oxoheptyl)azetidin-2-yl] 2-phenoxyethanethioate CAS Name: 2-phenoxyethanethioic acid S-[(2R,3R)-4-oxo-3-(2-oxoheptyl)-2-azetidinyl] ester IUPAC Name: S-[(2R,3R)-4-oxo-3-(2-oxoheptyl)azetidin-2-yl] 2-phenoxyethanethioate Traditional Name: 2-phenoxyethanethioic acid S-[(2R,3R)-4-keto-3-(2-ketoheptyl)azetidin-2-yl] ester Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CC1C(NC1=O)SC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)C[C@H]1[C@H](NC1=O)SC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C18H23NO4S/c1-2-3-5-8-13(20)11-15-17(22)19-18(15)24-16(21)12-23-14-9-6-4-7-10-14/h4,6-7,9-10,15,18H,2-3,5,8,11-12H2,1H3,(H,19,22)/t15-,18-/m1/s1