ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-(propargylamino)ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCC#C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCC#C)C

InChI

InChI=1S/C14H18N2O3/c1-5-7-15-13(17)9-16-10(3)8-12(11(16)4)14(18)19-6-2/h1,8H,6-7,9H2,2-4H3,(H,15,17)