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

Systemtic Name: ethyl 2-[[[(2R)-2-phenylbutanoyl]-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[isopropyl-[(2R)-2-phenylbutanoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(2R)-1-oxo-2-phenylbutyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[[(2R)-2-phenylbutanoyl]-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isopropyl-[(2R)-2-phenylbutanoyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-5-16(15-10-8-7-9-11-15)19(23)22(14(3)4)12-18-21-17(13-26-18)20(24)25-6-2/h7-11,13-14,16H,5-6,12H2,1-4H3/t16-/m1/s1