[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(1-pyrrolidinylsulfonyl)-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-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-pyrrolidinosulfonyl-1H-pyrrole-2-carboxylic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCC(CC)(C#C)NC(=O)COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H25N3O5S/c1-4-18(5-2,6-3)20-16(22)13-26-17(23)15-11-14(12-19-15)27(24,25)21-9-7-8-10-21/h1,11-12,19H,5-10,13H2,2-3H3,(H,20,22)