methyl 3-[5-(aminomethyl)-1,2-oxazol-3-yl]propanoate; 4-methylbenzenesulfonic acid

Systemtic Name: methyl 3-[5-(aminomethyl)-1,2-oxazol-3-yl]propanoate; 4-methylbenzenesulfonic acid Openeye Name: methyl 3-[5-(aminomethyl)isoxazol-3-yl]propanoate; 4-methylbenzenesulfonic acid CAS Name: 3-[5-(aminomethyl)-3-isoxazolyl]propanoic acid methyl ester; 4-methylbenzenesulfonic acid IUPAC Name: methyl 3-[5-(aminomethyl)-1,2-oxazol-3-yl]propanoate; 4-methylbenzenesulfonic acid Traditional Name: 3-[5-(aminomethyl)isoxazol-3-yl]propionic acid methyl ester; tosylic acid Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC(=O)CCC1=NOC(=C1)CN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC(=O)CCC1=NOC(=C1)CN

InChI

InChI=1S/C8H12N2O3.C7H8O3S/c1-12-8(11)3-2-6-4-7(5-9)13-10-6;1-6-2-4-7(5-3-6)11(8,9)10/h4H,2-3,5,9H2,1H3;2-5H,1H3,(H,8,9,10)