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

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(3-chlorophenyl)thiazole-4-carboxylate CAS Name: 2-(3-chlorophenyl)-4-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)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-chlorophenyl)thiazole-4-carboxylic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CSC(=N2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=CSC(=N2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H21ClN2O3S/c1-13(18(23)22-9-4-2-3-5-10-22)25-19(24)16-12-26-17(21-16)14-7-6-8-15(20)11-14/h6-8,11-13H,2-5,9-10H2,1H3/t13-/m1/s1