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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)C3=NN=C(S3)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)C3=NN=C(S3)CCC(=O)O

InChI

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