[4-[2-[(2S,3R)-3-methoxy-1-methylsulfanyl-4-oxidanylidene-azetidin-2-yl]ethynyl]phenyl] ethanoate

Systemtic Name: [4-[2-[(2S,3R)-3-methoxy-1-methylsulfanyl-4-oxidanylidene-azetidin-2-yl]ethynyl]phenyl] ethanoate Openeye Name: [4-[2-[(2S,3R)-3-methoxy-1-methylsulfanyl-4-oxo-azetidin-2-yl]ethynyl]phenyl] acetate CAS Name: acetic acid [4-[2-[(2S,3R)-3-methoxy-1-(methylthio)-4-oxo-2-azetidinyl]ethynyl]phenyl] ester IUPAC Name: [4-[2-[(2S,3R)-3-methoxy-1-methylsulfanyl-4-oxoazetidin-2-yl]ethynyl]phenyl] acetate Traditional Name: acetic acid [4-[2-[(2S,3R)-4-keto-3-methoxy-1-(methylthio)azetidin-2-yl]ethynyl]phenyl] ester Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C#CC2C(C(=O)N2SC)OC

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C#C[C@H]2[C@H](C(=O)N2SC)OC

InChI

InChI=1S/C15H15NO4S/c1-10(17)20-12-7-4-11(5-8-12)6-9-13-14(19-2)15(18)16(13)21-3/h4-5,7-8,13-14H,1-3H3/t13-,14+/m0/s1