(E)-2-benzamido-4-(4-fluoranyl-1,3-benzothiazol-2-yl)-2-phenoxy-but-3-enoic acid

Systemtic Name: (E)-2-benzamido-4-(4-fluoranyl-1,3-benzothiazol-2-yl)-2-phenoxy-but-3-enoic acid Openeye Name: (E)-2-benzamido-4-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-but-3-enoic acid CAS Name: (E)-2-benzamido-4-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-3-butenoic acid IUPAC Name: (E)-2-benzamido-4-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxybut-3-enoic acid Traditional Name: (E)-2-benzamido-4-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-but-3-enoic acid Formula: C24H17FN2O4S MolecularWeight: 448.466183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(C=CC2=NC3=C(C=CC=C3S2)F)(C(=O)O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(/C=C/C2=NC3=C(C=CC=C3S2)F)(C(=O)O)OC4=CC=CC=C4

InChI

InChI=1S/C24H17FN2O4S/c25-18-12-7-13-19-21(18)26-20(32-19)14-15-24(23(29)30,31-17-10-5-2-6-11-17)27-22(28)16-8-3-1-4-9-16/h1-15H,(H,27,28)(H,29,30)/b15-14+