O-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2-oxazol-5-yl)butyl] benzenecarbothioate

Systemtic Name: O-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2-oxazol-5-yl)butyl] benzenecarbothioate Openeye Name: O-[4-(tert-butoxycarbonylamino)-1-isoxazol-5-yl-butyl] benzenecarbothioate CAS Name: benzenecarbothioic acid O-[1-(5-isoxazolyl)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl] ester IUPAC Name: O-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2-oxazol-5-yl)butyl] benzenecarbothioate Traditional Name: thiobenzoic acid O-[4-(tert-butoxycarbonylamino)-1-isoxazol-5-yl-butyl] ester Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(C1=CC=NO1)OC(=S)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(C1=CC=NO1)OC(=S)C2=CC=CC=C2

InChI

InChI=1S/C19H24N2O4S/c1-19(2,3)24-18(22)20-12-7-10-15(16-11-13-21-25-16)23-17(26)14-8-5-4-6-9-14/h4-6,8-9,11,13,15H,7,10,12H2,1-3H3,(H,20,22)