3-[4-[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]phenyl]propanoic acid Openeye Name: 3-[4-[4-(4-carbamimidoylphenyl)thiazol-2-yl]phenyl]propanoic acid CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-2-thiazolyl]phenyl]propanoic acid IUPAC Name: 3-[4-[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[4-(4-amidinophenyl)thiazol-2-yl]phenyl]propionic acid Formula: C19H17N3O2S MolecularWeight: 351.42218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H17N3O2S/c20-18(21)14-8-6-13(7-9-14)16-11-25-19(22-16)15-4-1-12(2-5-15)3-10-17(23)24/h1-2,4-9,11H,3,10H2,(H3,20,21)(H,23,24)