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

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(azepan-1-yl)-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-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)OC(C)C(=O)N2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(S1)C(=O)O[C@@H](C)C(=O)N2CCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S/c1-14(19(23)22-12-8-3-4-9-13-22)25-20(24)18-17(21-15(2)26-18)16-10-6-5-7-11-16/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3/t14-/m0/s1