4-[3-[2-(2-phenylazanyl-1,3-benzothiazol-6-yl)ethanoylamino]phenoxy]butanoic acid

Systemtic Name: 4-[3-[2-(2-phenylazanyl-1,3-benzothiazol-6-yl)ethanoylamino]phenoxy]butanoic acid Openeye Name: 4-[3-[[2-(2-anilino-1,3-benzothiazol-6-yl)acetyl]amino]phenoxy]butanoic acid CAS Name: 4-[3-[[2-(2-anilino-1,3-benzothiazol-6-yl)-1-oxoethyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[3-[[2-(2-anilino-1,3-benzothiazol-6-yl)acetyl]amino]phenoxy]butanoic acid Traditional Name: 4-[3-[[2-(2-anilino-1,3-benzothiazol-6-yl)acetyl]amino]phenoxy]butyric acid Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC3=C(S2)C=C(C=C3)CC(=O)NC4=CC(=CC=C4)OCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC3=C(S2)C=C(C=C3)CC(=O)NC4=CC(=CC=C4)OCCCC(=O)O

InChI

InChI=1S/C25H23N3O4S/c29-23(26-19-8-4-9-20(16-19)32-13-5-10-24(30)31)15-17-11-12-21-22(14-17)33-25(28-21)27-18-6-2-1-3-7-18/h1-4,6-9,11-12,14,16H,5,10,13,15H2,(H,26,29)(H,27,28)(H,30,31)