[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-azetidin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-azetidin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [3-(tert-butoxycarbonylamino)-4-oxo-azetidin-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-2-azetidinyl]methyl ester IUPAC Name: [3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(tert-butoxycarbonylamino)-4-keto-azetidin-2-yl]methyl ester Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(=O)N2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(=O)N2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H22N2O6S/c1-10-5-7-11(8-6-10)25(21,22)23-9-12-13(14(19)17-12)18-15(20)24-16(2,3)4/h5-8,12-13H,9H2,1-4H3,(H,17,19)(H,18,20)