4-methylbenzenesulfonic acid; (phenylmethyl) 2-(3-azanyl-2-oxidanylidene-azetidin-1-yl)ethanoate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) 2-(3-azanyl-2-oxidanylidene-azetidin-1-yl)ethanoate Openeye Name: benzyl 2-(3-amino-2-oxo-azetidin-1-yl)acetate; 4-methylbenzenesulfonic acid CAS Name: 2-(3-amino-2-oxo-1-azetidinyl)acetic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl 2-(3-amino-2-oxoazetidin-1-yl)acetate; 4-methylbenzenesulfonic acid Traditional Name: 2-(3-amino-2-keto-azetidin-1-yl)acetic acid benzyl ester; tosylic acid Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(C(=O)N1CC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(C(=O)N1CC(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C12H14N2O3.C7H8O3S/c13-10-6-14(12(10)16)7-11(15)17-8-9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,10H,6-8,13H2;2-5H,1H3,(H,8,9,10)