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

Systemtic Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]propanoate CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]propanoate Traditional Name: 3-[4-[5-(4-amidinophenyl)-1,3,4-thiadiazol-2-yl]phenyl]propionic acid methyl ester Formula: C19H18N4O2S MolecularWeight: 366.43682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H18N4O2S/c1-25-16(24)11-4-12-2-5-14(6-3-12)18-22-23-19(26-18)15-9-7-13(8-10-15)17(20)21/h2-3,5-10H,4,11H2,1H3,(H3,20,21)