5-chloranyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]-1,2-benzoxazole-7-carboxylic acid

Systemtic Name: 5-chloranyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]-1,2-benzoxazole-7-carboxylic acid Openeye Name: 3-[2-(tert-butoxycarbonylamino)ethylsulfanyl]-5-chloro-1,2-benzoxazole-7-carboxylic acid CAS Name: 5-chloro-3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylthio]-1,2-benzoxazole-7-carboxylic acid IUPAC Name: 5-chloro-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]-1,2-benzoxazole-7-carboxylic acid Traditional Name: 3-[2-(tert-butoxycarbonylamino)ethylthio]-5-chloro-indoxazene-7-carboxylic acid Formula: C15H17ClN2O5S MolecularWeight: 372.82388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCSC1=NOC2=C(C=C(C=C21)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCCSC1=NOC2=C(C=C(C=C21)Cl)C(=O)O

InChI

InChI=1S/C15H17ClN2O5S/c1-15(2,3)22-14(21)17-4-5-24-12-9-6-8(16)7-10(13(19)20)11(9)23-18-12/h6-7H,4-5H2,1-3H3,(H,17,21)(H,19,20)