1,3-benzothiazol-2-ylmethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)OCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)OCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H22N2O4S/c1-17(2,3)23-16(21)18-10-6-9-15(20)22-11-14-19-12-7-4-5-8-13(12)24-14/h4-5,7-8H,6,9-11H2,1-3H3,(H,18,21)