[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5-dihydro-1,3-thiazol-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5-dihydro-1,3-thiazol-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [2-(tert-butoxycarbonylamino)-4,5-dihydrothiazol-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4,5-dihydrothiazol-4-yl]methyl ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5-dihydro-1,3-thiazol-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(tert-butoxycarbonylamino)-2-thiazolin-4-yl]methyl ester Formula: C16H22N2O5S2 MolecularWeight: 386.48628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CSC(=N2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CSC(=N2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H22N2O5S2/c1-11-5-7-13(8-6-11)25(20,21)22-9-12-10-24-14(17-12)18-15(19)23-16(2,3)4/h5-8,12H,9-10H2,1-4H3,(H,17,18,19)