[1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 4-(1,3-thiazol-4-ylmethoxy)benzoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 4-(1,3-thiazol-4-ylmethoxy)benzoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylethylamino)ethyl] 4-(thiazol-4-ylmethoxy)benzoate CAS Name: 4-(4-thiazolylmethoxy)benzoic acid [1-oxo-1-(1-phenylethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(1,3-thiazol-4-ylmethoxy)benzoate Traditional Name: 4-(thiazol-4-ylmethoxy)benzoic acid [2-keto-1-methyl-2-(1-phenylethylamino)ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)OCC3=CSC=N3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)OCC3=CSC=N3

InChI

InChI=1S/C22H22N2O4S/c1-15(17-6-4-3-5-7-17)24-21(25)16(2)28-22(26)18-8-10-20(11-9-18)27-12-19-13-29-14-23-19/h3-11,13-16H,12H2,1-2H3,(H,24,25)