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

Systemtic Name: methyl 3-[5-[4-(4-carbamimidoylphenyl)-2-methoxy-phenyl]-1,3,4-thiadiazol-2-yl]propanoate Openeye Name: methyl 3-[5-[4-(4-carbamimidoylphenyl)-2-methoxy-phenyl]-1,3,4-thiadiazol-2-yl]propanoate CAS Name: 3-[5-[4-(4-carbamimidoylphenyl)-2-methoxyphenyl]-1,3,4-thiadiazol-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-[4-(4-carbamimidoylphenyl)-2-methoxyphenyl]-1,3,4-thiadiazol-2-yl]propanoate Traditional Name: 3-[5-[4-(4-amidinophenyl)-2-methoxy-phenyl]-1,3,4-thiadiazol-2-yl]propionic acid methyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)C3=NN=C(S3)CCC(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)C3=NN=C(S3)CCC(=O)OC

InChI

InChI=1S/C20H20N4O3S/c1-26-16-11-14(12-3-5-13(6-4-12)19(21)22)7-8-15(16)20-24-23-17(28-20)9-10-18(25)27-2/h3-8,11H,9-10H2,1-2H3,(H3,21,22)