propan-2-yl 3-[5-[4-(4-carbamimidoylphenyl)phenyl]-1,3,4-thiadiazol-2-yl]propanoate

Systemtic Name: propan-2-yl 3-[5-[4-(4-carbamimidoylphenyl)phenyl]-1,3,4-thiadiazol-2-yl]propanoate Openeye Name: isopropyl 3-[5-[4-(4-carbamimidoylphenyl)phenyl]-1,3,4-thiadiazol-2-yl]propanoate CAS Name: 3-[5-[4-(4-carbamimidoylphenyl)phenyl]-1,3,4-thiadiazol-2-yl]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[5-[4-(4-carbamimidoylphenyl)phenyl]-1,3,4-thiadiazol-2-yl]propanoate Traditional Name: 3-[5-[4-(4-amidinophenyl)phenyl]-1,3,4-thiadiazol-2-yl]propionic acid isopropyl ester Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCC1=NN=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)OC(=O)CCC1=NN=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H22N4O2S/c1-13(2)27-19(26)12-11-18-24-25-21(28-18)17-9-5-15(6-10-17)14-3-7-16(8-4-14)20(22)23/h3-10,13H,11-12H2,1-2H3,(H3,22,23)