5-fluoranyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]-1,2-benzoxazole-4-carboxylic acid

Systemtic Name: 5-fluoranyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]-1,2-benzoxazole-4-carboxylic acid Openeye Name: 3-[2-(tert-butoxycarbonylamino)ethylsulfanyl]-5-fluoro-1,2-benzoxazole-4-carboxylic acid CAS Name: 5-fluoro-3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylthio]-1,2-benzoxazole-4-carboxylic acid IUPAC Name: 5-fluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]-1,2-benzoxazole-4-carboxylic acid Traditional Name: 3-[2-(tert-butoxycarbonylamino)ethylthio]-5-fluoro-indoxazene-4-carboxylic acid Formula: C15H17FN2O5S MolecularWeight: 356.369283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCSC1=NOC2=C1C(=C(C=C2)F)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCCSC1=NOC2=C1C(=C(C=C2)F)C(=O)O

InChI

InChI=1S/C15H17FN2O5S/c1-15(2,3)22-14(21)17-6-7-24-12-11-9(23-18-12)5-4-8(16)10(11)13(19)20/h4-5H,6-7H2,1-3H3,(H,17,21)(H,19,20)