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

Systemtic Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)thiazol-2-yl]phenyl]propanoate CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-2-thiazolyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]phenyl]propanoate Traditional Name: 3-[4-[5-(4-amidinophenyl)thiazol-2-yl]phenyl]propionic acid methyl ester Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C2=NC=C(S2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2=NC=C(S2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H19N3O2S/c1-25-18(24)11-4-13-2-5-16(6-3-13)20-23-12-17(26-20)14-7-9-15(10-8-14)19(21)22/h2-3,5-10,12H,4,11H2,1H3,(H3,21,22)