O-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2-thiazol-5-yl)propyl] benzenecarbothioate

Systemtic Name: O-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2-thiazol-5-yl)propyl] benzenecarbothioate Openeye Name: O-[3-(tert-butoxycarbonylamino)-1-isothiazol-5-yl-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid O-[1-(5-isothiazolyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl] ester IUPAC Name: O-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(1,2-thiazol-5-yl)propyl] benzenecarbothioate Traditional Name: thiobenzoic acid O-[3-(tert-butoxycarbonylamino)-1-isothiazol-5-yl-propyl] ester Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(C1=CC=NS1)OC(=S)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(C1=CC=NS1)OC(=S)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O3S2/c1-18(2,3)23-17(21)19-11-9-14(15-10-12-20-25-15)22-16(24)13-7-5-4-6-8-13/h4-8,10,12,14H,9,11H2,1-3H3,(H,19,21)