ethyl 2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methoxypropyl-[(2R)-1-oxo-2-phenylbutyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N(CCCOC)CC2=NC(=CS2)C(=O)OCC

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)N(CCCOC)CC2=NC(=CS2)C(=O)OCC

InChI

InChI=1S/C21H28N2O4S/c1-4-17(16-10-7-6-8-11-16)20(24)23(12-9-13-26-3)14-19-22-18(15-28-19)21(25)27-5-2/h6-8,10-11,15,17H,4-5,9,12-14H2,1-3H3/t17-/m1/s1