methyl 2-azanyl-2-(3-chloranyl-5-methyl-4H-1,2-oxazol-5-yl)ethanoate; 4-methylbenzenesulfonic acid

Systemtic Name: methyl 2-azanyl-2-(3-chloranyl-5-methyl-4H-1,2-oxazol-5-yl)ethanoate; 4-methylbenzenesulfonic acid Openeye Name: methyl 2-amino-2-(3-chloro-5-methyl-4H-isoxazol-5-yl)acetate; 4-methylbenzenesulfonic acid CAS Name: 2-amino-2-(3-chloro-5-methyl-4H-isoxazol-5-yl)acetic acid methyl ester; 4-methylbenzenesulfonic acid IUPAC Name: methyl 2-amino-2-(3-chloro-5-methyl-4H-1,2-oxazol-5-yl)acetate; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-2-(3-chloro-5-methyl-2-isoxazolin-5-yl)acetic acid methyl ester; tosylic acid Formula: C14H19ClN2O6S MolecularWeight: 378.82846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1(CC(=NO1)Cl)C(C(=O)OC)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1(CC(=NO1)Cl)C(C(=O)OC)N

InChI

InChI=1S/C7H11ClN2O3.C7H8O3S/c1-7(3-4(8)10-13-7)5(9)6(11)12-2;1-6-2-4-7(5-3-6)11(8,9)10/h5H,3,9H2,1-2H3;2-5H,1H3,(H,8,9,10)