4-[2-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanyl-ethyl]amino]propyl]benzoic acid

Systemtic Name: 4-[2-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanyl-ethyl]amino]propyl]benzoic acid Openeye Name: 4-[2-[[2-(2-aminothiazol-4-yl)-2-hydroxy-ethyl]amino]propyl]benzoic acid CAS Name: 4-[2-[[2-(2-amino-4-thiazolyl)-2-hydroxyethyl]amino]propyl]benzoic acid IUPAC Name: 4-[2-[[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propyl]benzoic acid Traditional Name: 4-[2-[[2-(2-aminothiazol-4-yl)-2-hydroxy-ethyl]amino]propyl]benzoic acid Formula: C15H19N3O3S MolecularWeight: 321.39466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)O)NCC(C2=CSC(=N2)N)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)O)NCC(C2=CSC(=N2)N)O

InChI

InChI=1S/C15H19N3O3S/c1-9(6-10-2-4-11(5-3-10)14(20)21)17-7-13(19)12-8-22-15(16)18-12/h2-5,8-9,13,17,19H,6-7H2,1H3,(H2,16,18)(H,20,21)