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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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