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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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