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

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(4-ethylphenyl)thiazole-4-carboxylate CAS Name: 2-(4-ethylphenyl)-4-thiazolecarboxylic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-ethylphenyl)thiazole-4-carboxylic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)O[C@H](C)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O3S/c1-3-16-8-10-17(11-9-16)19-22-18(14-27-19)21(25)26-15(2)20(24)23-12-6-4-5-7-13-23/h8-11,14-15H,3-7,12-13H2,1-2H3/t15-/m1/s1