[3-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] 4-methylbenzenesulfonate

Systemtic Name: [3-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] 4-methylbenzenesulfonate Openeye Name: [2-(tert-butoxycarbonylamino)-3-methylene-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-methylene-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl] ester IUPAC Name: [3-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(tert-butoxycarbonylamino)-3-ethyl-but-3-enyl] ester Formula: C18H27NO5S MolecularWeight: 369.47568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)C(COS(=O)(=O)C1=CC=C(C=C1)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(=C)C(COS(=O)(=O)C1=CC=C(C=C1)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H27NO5S/c1-7-14(3)16(19-17(20)24-18(4,5)6)12-23-25(21,22)15-10-8-13(2)9-11-15/h8-11,16H,3,7,12H2,1-2,4-6H3,(H,19,20)