3-[4-[5-(4-carbamimidoylphenyl)thiophen-2-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[5-(4-carbamimidoylphenyl)thiophen-2-yl]phenyl]propanoic acid Openeye Name: 3-[4-[5-(4-carbamimidoylphenyl)-2-thienyl]phenyl]propanoic acid CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-2-thiophenyl]phenyl]propanoic acid IUPAC Name: 3-[4-[5-(4-carbamimidoylphenyl)thiophen-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[5-(4-amidinophenyl)-2-thienyl]phenyl]propionic acid Formula: C20H18N2O2S MolecularWeight: 350.43412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)C2=CC=C(S2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)C2=CC=C(S2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H18N2O2S/c21-20(22)16-8-6-15(7-9-16)18-11-10-17(25-18)14-4-1-13(2-5-14)3-12-19(23)24/h1-2,4-11H,3,12H2,(H3,21,22)(H,23,24)