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

Systemtic Name: methyl 2-[[(3-bromophenyl)carbonyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(3-bromobenzoyl)-cyclopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-bromophenyl)-oxomethyl]-cyclopropylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-bromobenzoyl)-cyclopropylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-bromobenzoyl)-cyclopropyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C16H15BrN2O3S MolecularWeight: 395.2709

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H15BrN2O3S/c1-22-16(21)13-9-23-14(18-13)8-19(12-5-6-12)15(20)10-3-2-4-11(17)7-10/h2-4,7,9,12H,5-6,8H2,1H3