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

Systemtic Name: methyl 3-[2-acetamido-3-[2-(4-carbamimidoylphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]propanoate Openeye Name: methyl 3-[2-acetamido-3-[2-(4-carbamimidoylphenyl)-5-methyl-thiazol-4-yl]phenyl]propanoate CAS Name: 3-[2-acetamido-3-[2-(4-carbamimidoylphenyl)-5-methyl-4-thiazolyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-acetamido-3-[2-(4-carbamimidoylphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]propanoate Traditional Name: 3-[2-acetamido-3-[2-(4-amidinophenyl)-5-methyl-thiazol-4-yl]phenyl]propionic acid methyl ester Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C2=CC=C(C=C2)C(=N)N)C3=C(C(=CC=C3)CCC(=O)OC)NC(=O)C

Isomeric SMILES

CC1=C(N=C(S1)C2=CC=C(C=C2)C(=N)N)C3=C(C(=CC=C3)CCC(=O)OC)NC(=O)C

InChI

InChI=1S/C23H24N4O3S/c1-13-20(27-23(31-13)17-9-7-16(8-10-17)22(24)25)18-6-4-5-15(11-12-19(29)30-3)21(18)26-14(2)28/h4-10H,11-12H2,1-3H3,(H3,24,25)(H,26,28)