(1-methylsulfanyl-2-oxidanylidene-4-phenyl-azetidin-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-methylsulfanyl-2-oxidanylidene-4-phenyl-azetidin-3-yl) 4-methylbenzenesulfonate Openeye Name: (1-methylsulfanyl-2-oxo-4-phenyl-azetidin-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(methylthio)-2-oxo-4-phenyl-3-azetidinyl] ester IUPAC Name: (1-methylsulfanyl-2-oxo-4-phenylazetidin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-1-(methylthio)-4-phenyl-azetidin-3-yl] ester Formula: C17H17NO4S2 MolecularWeight: 363.45118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(N(C2=O)SC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(N(C2=O)SC)C3=CC=CC=C3

InChI

InChI=1S/C17H17NO4S2/c1-12-8-10-14(11-9-12)24(20,21)22-16-15(18(23-2)17(16)19)13-6-4-3-5-7-13/h3-11,15-16H,1-2H3