[1-[(2,4-dimethoxyphenyl)methyl]-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [1-[(2,4-dimethoxyphenyl)methyl]-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [1-[(2,4-dimethoxyphenyl)methyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[(2,4-dimethoxyphenyl)methyl]-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-2-azetidinyl]methyl ester IUPAC Name: [1-[(2,4-dimethoxyphenyl)methyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(2,4-dimethoxybenzyl)-4-keto-3-[(2-phenylacetyl)amino]azetidin-2-yl]methyl ester Formula: C28H30N2O7S MolecularWeight: 538.612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(=O)N2CC3=C(C=C(C=C3)OC)OC)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(=O)N2CC3=C(C=C(C=C3)OC)OC)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O7S/c1-19-9-13-23(14-10-19)38(33,34)37-18-24-27(29-26(31)15-20-7-5-4-6-8-20)28(32)30(24)17-21-11-12-22(35-2)16-25(21)36-3/h4-14,16,24,27H,15,17-18H2,1-3H3,(H,29,31)