[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-3-thiophenecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=CS2)C(=O)OCC(=O)NCC#C)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=CS2)C(=O)OCC(=O)NCC#C)C

InChI

InChI=1S/C16H16N2O3S/c1-4-8-17-14(19)10-21-16(20)13-7-9-22-15(13)18-11(2)5-6-12(18)3/h1,5-7,9H,8,10H2,2-3H3,(H,17,19)