ethyl 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-7-(5-oxidanylpent-1-ynyl)-2-(3-oxidanylpropyl)-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-7-(5-oxidanylpent-1-ynyl)-2-(3-oxidanylpropyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxo-propyl]-7-(5-hydroxypent-1-ynyl)-2-(3-hydroxypropyl)benzofuran-3-carboxylate CAS Name: 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxopropyl]-7-(5-hydroxypent-1-ynyl)-2-(3-hydroxypropyl)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxopropyl]-7-(5-hydroxypent-1-ynyl)-2-(3-hydroxypropyl)-1-benzofuran-3-carboxylate Traditional Name: 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-keto-propyl]-7-(5-hydroxypent-1-ynyl)-2-(3-hydroxypropyl)benzofuran-3-carboxylic acid ethyl ester Formula: C26H34N2O8 MolecularWeight: 502.55676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2C#CCCCO)CC(C(=O)NCCO)NC(=O)C)CCCO

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2C#CCCCO)C[C@@H](C(=O)NCCO)NC(=O)C)CCCO

InChI

InChI=1S/C26H34N2O8/c1-3-35-26(34)23-20-15-18(16-21(28-17(2)32)25(33)27-10-13-31)14-19(8-5-4-6-11-29)24(20)36-22(23)9-7-12-30/h14-15,21,29-31H,3-4,6-7,9-13,16H2,1-2H3,(H,27,33)(H,28,32)/t21-/m0/s1