methyl (E)-4-[(3S)-3-azanyl-2-oxidanylidene-azetidin-1-yl]-3-methyl-2-(2-phenoxyethanoyloxy)but-2-enoate; 4-methylbenzenesulfonic acid

Systemtic Name: methyl (E)-4-[(3S)-3-azanyl-2-oxidanylidene-azetidin-1-yl]-3-methyl-2-(2-phenoxyethanoyloxy)but-2-enoate; 4-methylbenzenesulfonic acid Openeye Name: methyl (E)-4-[(3S)-3-amino-2-oxo-azetidin-1-yl]-3-methyl-2-(2-phenoxyacetyl)oxy-but-2-enoate; 4-methylbenzenesulfonic acid CAS Name: (E)-4-[(3S)-3-amino-2-oxo-1-azetidinyl]-3-methyl-2-(1-oxo-2-phenoxyethoxy)-2-butenoic acid methyl ester; 4-methylbenzenesulfonic acid IUPAC Name: methyl (E)-4-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methyl-2-(2-phenoxyacetyl)oxybut-2-enoate; 4-methylbenzenesulfonic acid Traditional Name: (E)-4-[(3S)-3-amino-2-keto-azetidin-1-yl]-3-methyl-2-(2-phenoxyacetyl)oxy-but-2-enoic acid methyl ester; tosylic acid Formula: C24H28N2O9S MolecularWeight: 520.55212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=C(C(=O)OC)OC(=O)COC1=CC=CC=C1)CN2CC(C2=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C/C(=C(/C(=O)OC)\OC(=O)COC1=CC=CC=C1)/CN2C[C@@H](C2=O)N

InChI

InChI=1S/C17H20N2O6.C7H8O3S/c1-11(8-19-9-13(18)16(19)21)15(17(22)23-2)25-14(20)10-24-12-6-4-3-5-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,13H,8-10,18H2,1-2H3;2-5H,1H3,(H,8,9,10)/b15-11+;/t13-;/m0./s1