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

Systemtic Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]propanoate Openeye Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)phenyl]-5-methyl-thiazol-2-yl]propanoate CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)phenyl]-5-methyl-2-thiazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]propanoate Traditional Name: 3-[4-[4-(4-amidinophenyl)phenyl]-5-methyl-thiazol-2-yl]propionic acid methyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-13-20(24-18(27-13)11-12-19(25)26-2)16-7-3-14(4-8-16)15-5-9-17(10-6-15)21(22)23/h3-10H,11-12H2,1-2H3,(H3,22,23)