2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]propanoylamino]benzoic acid

Systemtic Name: 2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]propanoylamino]benzoic acid Openeye Name: 2-[3-[2-(tert-butoxycarbonylamino)-1,3-benzothiazol-6-yl]propanoylamino]benzoic acid CAS Name: 2-[[3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,3-benzothiazol-6-yl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]propanoylamino]benzoic acid Traditional Name: 2-[3-[2-(tert-butoxycarbonylamino)-1,3-benzothiazol-6-yl]propanoylamino]benzoic acid Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC2=C(S1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC2=C(S1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H23N3O5S/c1-22(2,3)30-21(29)25-20-24-16-10-8-13(12-17(16)31-20)9-11-18(26)23-15-7-5-4-6-14(15)19(27)28/h4-8,10,12H,9,11H2,1-3H3,(H,23,26)(H,27,28)(H,24,25,29)