[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)COC(=O)C1=C(C=CS1)N2C=CC=C2

Isomeric SMILES

CCC(CC)(C#C)NC(=O)COC(=O)C1=C(C=CS1)N2C=CC=C2

InChI

InChI=1S/C18H20N2O3S/c1-4-18(5-2,6-3)19-15(21)13-23-17(22)16-14(9-12-24-16)20-10-7-8-11-20/h1,7-12H,5-6,13H2,2-3H3,(H,19,21)