[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)COC(=O)C1=C(C(=C(N1)C)C(=O)C)C

Isomeric SMILES

CCC(CC)(C#C)NC(=O)COC(=O)C1=C(C(=C(N1)C)C(=O)C)C

InChI

InChI=1S/C18H24N2O4/c1-7-18(8-2,9-3)20-14(22)10-24-17(23)16-11(4)15(13(6)21)12(5)19-16/h1,19H,8-10H2,2-6H3,(H,20,22)