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

Systemtic Name: ethyl 2-[[(2-chloranyl-2-phenyl-ethanoyl)-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(2-chloro-2-phenyl-acetyl)-isopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[(2-chloro-1-oxo-2-phenylethyl)-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2-chloro-2-phenylacetyl)-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(2-chloro-2-phenyl-acetyl)-isopropyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O3S/c1-4-24-18(23)14-11-25-15(20-14)10-21(12(2)3)17(22)16(19)13-8-6-5-7-9-13/h5-9,11-12,16H,4,10H2,1-3H3