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

Systemtic Name: methyl 2-[[(4-bromophenyl)carbamoyl-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-bromophenyl)carbamoyl-(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-bromoanilino)-oxomethyl]-(3-ethoxypropyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-bromophenyl)carbamoyl-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-bromophenyl)carbamoyl-(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C18H22BrN3O4S MolecularWeight: 456.35398

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN(CC1=NC(=CS1)C(=O)OC)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCOCCCN(CC1=NC(=CS1)C(=O)OC)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H22BrN3O4S/c1-3-26-10-4-9-22(11-16-21-15(12-27-16)17(23)25-2)18(24)20-14-7-5-13(19)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3,(H,20,24)