[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(3-bromophenyl)thiazol-4-yl]methyl 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(3-bromophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(3-bromophenyl)thiazol-4-yl]methyl ester Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC2=CSC(=N2)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC2=CSC(=N2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H13BrN2O3S/c1-10(21)12-6-15(19-7-12)17(22)23-8-14-9-24-16(20-14)11-3-2-4-13(18)5-11/h2-7,9,19H,8H2,1H3