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

Systemtic Name: ethyl 2-[[(2-chloranyl-2-phenyl-ethanoyl)-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(2-chloro-2-phenyl-acetyl)-(2-methoxyethyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[(2-chloro-1-oxo-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2-chloro-2-phenylacetyl)-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(2-chloro-2-phenyl-acetyl)-(2-methoxyethyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCOC)C(=O)C(C2=CC=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCOC)C(=O)C(C2=CC=CC=C2)Cl

InChI

InChI=1S/C18H21ClN2O4S/c1-3-25-18(23)14-12-26-15(20-14)11-21(9-10-24-2)17(22)16(19)13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3