[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 5-bromanyl-1H-indole-3-carboxylate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 5-bromanyl-1H-indole-3-carboxylate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 5-bromo-1H-indole-3-carboxylate CAS Name: 5-bromo-1H-indole-3-carboxylic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 5-bromo-1H-indole-3-carboxylate Traditional Name: 5-bromo-1H-indole-3-carboxylic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C18H19BrN2O3 MolecularWeight: 391.25906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)COC(=O)C1=CNC2=C1C=C(C=C2)Br

Isomeric SMILES

CCC(CC)(C#C)NC(=O)COC(=O)C1=CNC2=C1C=C(C=C2)Br

InChI

InChI=1S/C18H19BrN2O3/c1-4-18(5-2,6-3)21-16(22)11-24-17(23)14-10-20-15-8-7-12(19)9-13(14)15/h1,7-10,20H,5-6,11H2,2-3H3,(H,21,22)