(2-acetamido-1,3-thiazol-4-yl)methyl 4-bromanyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-bromanyl-1-methyl-pyrrole-2-carboxylate Openeye Name: (2-acetamidothiazol-4-yl)methyl 4-bromo-1-methyl-pyrrole-2-carboxylate CAS Name: 4-bromo-1-methyl-2-pyrrolecarboxylic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-bromo-1-methylpyrrole-2-carboxylate Traditional Name: 4-bromo-1-methyl-pyrrole-2-carboxylic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C12H12BrN3O3S MolecularWeight: 358.21098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=CN2C)Br

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=CN2C)Br

InChI

InChI=1S/C12H12BrN3O3S/c1-7(17)14-12-15-9(6-20-12)5-19-11(18)10-3-8(13)4-16(10)2/h3-4,6H,5H2,1-2H3,(H,14,15,17)