methyl 3-[(imidazo[2,1-b][1,3]thiazol-6-ylcarbonylamino)methyl]-5-[[(E)-3-phenylprop-2-enoyl]amino]benzoate

Systemtic Name: methyl 3-[(imidazo[2,1-b][1,3]thiazol-6-ylcarbonylamino)methyl]-5-[[(E)-3-phenylprop-2-enoyl]amino]benzoate Openeye Name: methyl 3-[(imidazo[2,1-b]thiazole-6-carbonylamino)methyl]-5-[[(E)-3-phenylprop-2-enoyl]amino]benzoate CAS Name: 3-[[[6-imidazo[2,1-b]thiazolyl(oxo)methyl]amino]methyl]-5-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)methyl]-5-[[(E)-3-phenylprop-2-enoyl]amino]benzoate Traditional Name: 3-[(imidazo[2,1-b]thiazole-6-carbonylamino)methyl]-5-[[(E)-3-phenylacryloyl]amino]benzoic acid methyl ester Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C=CC2=CC=CC=C2)CNC(=O)C3=CN4C=CSC4=N3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)/C=C/C2=CC=CC=C2)CNC(=O)C3=CN4C=CSC4=N3

InChI

InChI=1S/C24H20N4O4S/c1-32-23(31)18-11-17(14-25-22(30)20-15-28-9-10-33-24(28)27-20)12-19(13-18)26-21(29)8-7-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,25,30)(H,26,29)/b8-7+