(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C12H12ClN3O3S MolecularWeight: 313.75998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=C(SN=N2)Cl

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=C(SN=N2)Cl

InChI

InChI=1S/C12H12ClN3O3S/c1-5-9(7(3)17)6(2)14-10(5)12(18)19-4-8-11(13)20-16-15-8/h14H,4H2,1-3H3