ethyl 2,4-dimethyl-5-(prop-2-ynylcarbamoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-(prop-2-ynylcarbamoyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-(prop-2-ynylcarbamoyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-(prop-2-ynylamino)methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-(prop-2-ynylcarbamoyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-(propargylcarbamoyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC#C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC#C)C

InChI

InChI=1S/C13H16N2O3/c1-5-7-14-12(16)11-8(3)10(9(4)15-11)13(17)18-6-2/h1,15H,6-7H2,2-4H3,(H,14,16)