3-[[2-(6-phenyl-1,3-benzothiazol-2-yl)ethanoylamino]methyl]benzoic acid

Systemtic Name: 3-[[2-(6-phenyl-1,3-benzothiazol-2-yl)ethanoylamino]methyl]benzoic acid Openeye Name: 3-[[[2-(6-phenyl-1,3-benzothiazol-2-yl)acetyl]amino]methyl]benzoic acid CAS Name: 3-[[[1-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)ethyl]amino]methyl]benzoic acid IUPAC Name: 3-[[[2-(6-phenyl-1,3-benzothiazol-2-yl)acetyl]amino]methyl]benzoic acid Traditional Name: 3-[[[2-(6-phenyl-1,3-benzothiazol-2-yl)acetyl]amino]methyl]benzoic acid Formula: C23H18N2O3S MolecularWeight: 402.46562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(S3)CC(=O)NCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(S3)CC(=O)NCC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C23H18N2O3S/c26-21(24-14-15-5-4-8-18(11-15)23(27)28)13-22-25-19-10-9-17(12-20(19)29-22)16-6-2-1-3-7-16/h1-12H,13-14H2,(H,24,26)(H,27,28)