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

Systemtic Name: 3-[5-[4-(4-carbamimidoylphenyl)-2-methoxy-phenyl]-1,3,4-thiadiazol-2-yl]propanoic acid Openeye Name: 3-[5-[4-(4-carbamimidoylphenyl)-2-methoxy-phenyl]-1,3,4-thiadiazol-2-yl]propanoic acid CAS Name: 3-[5-[4-(4-carbamimidoylphenyl)-2-methoxyphenyl]-1,3,4-thiadiazol-2-yl]propanoic acid IUPAC Name: 3-[5-[4-(4-carbamimidoylphenyl)-2-methoxyphenyl]-1,3,4-thiadiazol-2-yl]propanoic acid Traditional Name: 3-[5-[4-(4-amidinophenyl)-2-methoxy-phenyl]-1,3,4-thiadiazol-2-yl]propionic acid Formula: C19H18N4O3S MolecularWeight: 382.43622

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3S/c1-26-15-10-13(11-2-4-12(5-3-11)18(20)21)6-7-14(15)19-23-22-16(27-19)8-9-17(24)25/h2-7,10H,8-9H2,1H3,(H3,20,21)(H,24,25)