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

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(3-chlorophenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(3-chlorophenyl)-4-methyl-5-thiazolecarboxylic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(3-chlorophenyl)-4-methyl-thiazole-5-carboxylic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)O[C@H](C)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H23ClN2O3S/c1-13-17(27-18(22-13)15-8-7-9-16(21)12-15)20(25)26-14(2)19(24)23-10-5-3-4-6-11-23/h7-9,12,14H,3-6,10-11H2,1-2H3/t14-/m1/s1