[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-methyl-4-phenyl-thiazole-5-carboxylic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)OC(C)C(=O)NCC(C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=NC(=C(S1)C(=O)O[C@@H](C)C(=O)NCC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O3S/c1-11(2)10-19-17(21)12(3)23-18(22)16-15(20-13(4)24-16)14-8-6-5-7-9-14/h5-9,11-12H,10H2,1-4H3,(H,19,21)/t12-/m0/s1