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

Systemtic Name: methyl 3-[5-[4-(4-carbamimidoylphenyl)-2-methyl-phenyl]-1,3,4-thiadiazol-2-yl]propanoate Openeye Name: methyl 3-[5-[4-(4-carbamimidoylphenyl)-2-methyl-phenyl]-1,3,4-thiadiazol-2-yl]propanoate CAS Name: 3-[5-[4-(4-carbamimidoylphenyl)-2-methylphenyl]-1,3,4-thiadiazol-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-[4-(4-carbamimidoylphenyl)-2-methylphenyl]-1,3,4-thiadiazol-2-yl]propanoate Traditional Name: 3-[5-[4-(4-amidinophenyl)-2-methyl-phenyl]-1,3,4-thiadiazol-2-yl]propionic acid methyl ester Formula: C20H20N4O2S MolecularWeight: 380.4634

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S/c1-12-11-15(13-3-5-14(6-4-13)19(21)22)7-8-16(12)20-24-23-17(27-20)9-10-18(25)26-2/h3-8,11H,9-10H2,1-2H3,(H3,21,22)