ethyl 2-[[(3-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(3-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-bromoanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H20BrN3O4S MolecularWeight: 442.3274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCOC)C(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCOC)C(=O)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C17H20BrN3O4S/c1-3-25-16(22)14-11-26-15(20-14)10-21(7-8-24-2)17(23)19-13-6-4-5-12(18)9-13/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,19,23)