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

Systemtic Name: (4-methoxyphenyl)methyl 2-[3-(2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)prop-1-ynyl]benzoate Openeye Name: (4-methoxyphenyl)methyl 2-[3-(2-methylsulfanyl-4-oxo-azetidin-1-yl)prop-1-ynyl]benzoate CAS Name: 2-[3-[2-(methylthio)-4-oxo-1-azetidinyl]prop-1-ynyl]benzoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 2-[3-(2-methylsulfanyl-4-oxoazetidin-1-yl)prop-1-ynyl]benzoate Traditional Name: 2-[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=CC=C2C#CCN3C(CC3=O)SC

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C#CCN3C(CC3=O)SC

InChI

InChI=1S/C22H21NO4S/c1-26-18-11-9-16(10-12-18)15-27-22(25)19-8-4-3-6-17(19)7-5-13-23-20(24)14-21(23)28-2/h3-4,6,8-12,21H,13-15H2,1-2H3