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

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) 2-[(3S)-3-azanyl-2-chloranyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: benzyl 2-[(3S)-3-amino-2-chloro-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoate; 4-methylbenzenesulfonic acid CAS Name: 2-[(3S)-3-amino-2-chloro-4-oxo-1-azetidinyl]-3-methyl-2-butenoic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl 2-[(3S)-3-amino-2-chloro-4-oxoazetidin-1-yl]-3-methylbut-2-enoate; 4-methylbenzenesulfonic acid Traditional Name: 2-[(3S)-3-amino-2-chloro-4-keto-azetidin-1-yl]-3-methyl-but-2-enoic acid benzyl ester; tosylic acid Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)N)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=C(C(=O)OCC1=CC=CC=C1)N2C([C@H](C2=O)N)Cl)C

InChI

InChI=1S/C15H17ClN2O3.C7H8O3S/c1-9(2)12(18-13(16)11(17)14(18)19)15(20)21-8-10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,11,13H,8,17H2,1-2H3;2-5H,1H3,(H,8,9,10)/t11-,13?;/m1./s1