ethyl 3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate; 4-methylbenzenesulfonic acid

Systemtic Name: ethyl 3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate; 4-methylbenzenesulfonic acid Openeye Name: ethyl 2-(benzyloxycarbonylamino)-3-hydroxy-propanoate; 4-methylbenzenesulfonic acid CAS Name: 3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: ethyl 3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate; 4-methylbenzenesulfonic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-hydroxy-propionic acid ethyl ester; tosylic acid Formula: C20H25NO8S MolecularWeight: 439.4794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CO)NC(=O)OCC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C(CO)NC(=O)OCC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H17NO5.C7H8O3S/c1-2-18-12(16)11(8-15)14-13(17)19-9-10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,11,15H,2,8-9H2,1H3,(H,14,17);2-5H,1H3,(H,8,9,10)