ethyl 2-[[[(2S)-2-chloranyl-2-phenyl-ethanoyl]-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[[(2S)-2-chloranyl-2-phenyl-ethanoyl]-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[[(2S)-2-chloro-2-phenyl-acetyl]-pentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(2S)-2-chloro-1-oxo-2-phenylethyl]-pentylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[[(2S)-2-chloro-2-phenylacetyl]-pentylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[amyl-[(2S)-2-chloro-2-phenyl-acetyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H25ClN2O3S MolecularWeight: 408.9421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)C(C2=CC=CC=C2)Cl

Isomeric SMILES

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)[C@H](C2=CC=CC=C2)Cl

InChI

InChI=1S/C20H25ClN2O3S/c1-3-5-9-12-23(19(24)18(21)15-10-7-6-8-11-15)13-17-22-16(14-27-17)20(25)26-4-2/h6-8,10-11,14,18H,3-5,9,12-13H2,1-2H3/t18-/m0/s1