(4-methoxyphenyl)methyl 4-[3-(2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)prop-1-ynyl]benzoate

Systemtic Name: (4-methoxyphenyl)methyl 4-[3-(2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)prop-1-ynyl]benzoate Openeye Name: (4-methoxyphenyl)methyl 4-[3-(2-methylsulfanyl-4-oxo-azetidin-1-yl)prop-1-ynyl]benzoate CAS Name: 4-[3-[2-(methylthio)-4-oxo-1-azetidinyl]prop-1-ynyl]benzoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 4-[3-(2-methylsulfanyl-4-oxoazetidin-1-yl)prop-1-ynyl]benzoate Traditional Name: 4-[3-[2-keto-4-(methylthio)azetidin-1-yl]prop-1-ynyl]benzoic acid p-anisyl ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C#CCN3C(CC3=O)SC

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C#CCN3C(CC3=O)SC

InChI

InChI=1S/C22H21NO4S/c1-26-19-11-7-17(8-12-19)15-27-22(25)18-9-5-16(6-10-18)4-3-13-23-20(24)14-21(23)28-2/h5-12,21H,13-15H2,1-2H3