methyl 3-(2-phenylethanoylamino)-5-[(1,3-thiazol-5-ylcarbonylamino)methyl]benzoate

Systemtic Name: methyl 3-(2-phenylethanoylamino)-5-[(1,3-thiazol-5-ylcarbonylamino)methyl]benzoate Openeye Name: methyl 3-[(2-phenylacetyl)amino]-5-[(thiazole-5-carbonylamino)methyl]benzoate CAS Name: 3-[(1-oxo-2-phenylethyl)amino]-5-[[[oxo(5-thiazolyl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-phenylacetyl)amino]-5-[(1,3-thiazole-5-carbonylamino)methyl]benzoate Traditional Name: 3-[(2-phenylacetyl)amino]-5-[(thiazole-5-carbonylamino)methyl]benzoic acid methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CC=CC=C2)CNC(=O)C3=CN=CS3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CC=CC=C2)CNC(=O)C3=CN=CS3

InChI

InChI=1S/C21H19N3O4S/c1-28-21(27)16-7-15(11-23-20(26)18-12-22-13-29-18)8-17(10-16)24-19(25)9-14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H,23,26)(H,24,25)