[3,3-diethoxy-2-(prop-2-enoxycarbonylamino)propyl] 4-methylbenzenesulfonate

Systemtic Name: [3,3-diethoxy-2-(prop-2-enoxycarbonylamino)propyl] 4-methylbenzenesulfonate Openeye Name: [2-(allyloxycarbonylamino)-3,3-diethoxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3,3-diethoxy-2-[[oxo(prop-2-enoxy)methyl]amino]propyl] ester IUPAC Name: [3,3-diethoxy-2-(prop-2-enoxycarbonylamino)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(allyloxycarbonylamino)-3,3-diethoxy-propyl] ester Formula: C18H27NO7S MolecularWeight: 401.47448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(COS(=O)(=O)C1=CC=C(C=C1)C)NC(=O)OCC=C)OCC

Isomeric SMILES

CCOC(C(COS(=O)(=O)C1=CC=C(C=C1)C)NC(=O)OCC=C)OCC

InChI

InChI=1S/C18H27NO7S/c1-5-12-25-18(20)19-16(17(23-6-2)24-7-3)13-26-27(21,22)15-10-8-14(4)9-11-15/h5,8-11,16-17H,1,6-7,12-13H2,2-4H3,(H,19,20)