3-(1,3-benzothiazol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid CAS Name: 3-(1,3-benzothiazol-2-yl)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=NC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=NC5=CC=CC=C5S4)C(=O)O

InChI

InChI=1S/C25H20N2O4S/c28-24(29)21(13-23-26-20-11-5-6-12-22(20)32-23)27-25(30)31-14-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-12,19,21H,13-14H2,(H,27,30)(H,28,29)