3-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 3-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 3-[[4-(1H-indol-3-yl)thiazol-2-yl]amino]benzoic acid CAS Name: 3-[[4-(1H-indol-3-yl)-2-thiazolyl]amino]benzoic acid IUPAC Name: 3-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 3-[[4-(1H-indol-3-yl)thiazol-2-yl]amino]benzoic acid Formula: C18H13N3O2S MolecularWeight: 335.37972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C18H13N3O2S/c22-17(23)11-4-3-5-12(8-11)20-18-21-16(10-24-18)14-9-19-15-7-2-1-6-13(14)15/h1-10,19H,(H,20,21)(H,22,23)