3-(1,3-benzothiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(1,3-benzothiazol-2-yl)-3-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-(1,3-benzothiazol-2-yl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(1,3-benzothiazol-2-yl)-3-(tert-butoxycarbonylamino)propionic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)O)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)O)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C15H18N2O4S/c1-15(2,3)21-14(20)17-10(8-12(18)19)13-16-9-6-4-5-7-11(9)22-13/h4-7,10H,8H2,1-3H3,(H,17,20)(H,18,19)