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

Systemtic Name: methyl 2-[[(3-bromophenyl)carbonyl-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(3-bromobenzoyl)-(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-bromophenyl)-oxomethyl]-(3-ethoxypropyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-bromobenzoyl)-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-bromobenzoyl)-(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O4S/c1-3-25-9-5-8-21(17(22)13-6-4-7-14(19)10-13)11-16-20-15(12-26-16)18(23)24-2/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3