3-[[2-[6-(4-aminophenyl)-1,3-benzothiazol-2-yl]ethanoylamino]methyl]benzoic acid

Systemtic Name: 3-[[2-[6-(4-aminophenyl)-1,3-benzothiazol-2-yl]ethanoylamino]methyl]benzoic acid Openeye Name: 3-[[[2-[6-(4-aminophenyl)-1,3-benzothiazol-2-yl]acetyl]amino]methyl]benzoic acid CAS Name: 3-[[[2-[6-(4-aminophenyl)-1,3-benzothiazol-2-yl]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 3-[[[2-[6-(4-aminophenyl)-1,3-benzothiazol-2-yl]acetyl]amino]methyl]benzoic acid Traditional Name: 3-[[[2-[6-(4-aminophenyl)-1,3-benzothiazol-2-yl]acetyl]amino]methyl]benzoic acid Formula: C23H19N3O3S MolecularWeight: 417.48026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC(=O)CC2=NC3=C(S2)C=C(C=C3)C4=CC=C(C=C4)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CNC(=O)CC2=NC3=C(S2)C=C(C=C3)C4=CC=C(C=C4)N)C(=O)O

InChI

InChI=1S/C23H19N3O3S/c24-18-7-4-15(5-8-18)16-6-9-19-20(11-16)30-22(26-19)12-21(27)25-13-14-2-1-3-17(10-14)23(28)29/h1-11H,12-13,24H2,(H,25,27)(H,28,29)