ethyl 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-2-(1-oxidanylcyclopentyl)-7-[2-(1-oxidanylcyclopentyl)ethynyl]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-2-(1-oxidanylcyclopentyl)-7-[2-(1-oxidanylcyclopentyl)ethynyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxo-propyl]-2-(1-hydroxycyclopentyl)-7-[2-(1-hydroxycyclopentyl)ethynyl]benzofuran-3-carboxylate CAS Name: 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxopropyl]-2-(1-hydroxycyclopentyl)-7-[2-(1-hydroxycyclopentyl)ethynyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxopropyl]-2-(1-hydroxycyclopentyl)-7-[2-(1-hydroxycyclopentyl)ethynyl]-1-benzofuran-3-carboxylate Traditional Name: 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-keto-propyl]-2-(1-hydroxycyclopentyl)-7-[2-(1-hydroxycyclopentyl)ethynyl]benzofuran-3-carboxylic acid ethyl ester Formula: C30H38N2O8 MolecularWeight: 554.63132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2C#CC3(CCCC3)O)CC(C(=O)NCCO)NC(=O)C)C4(CCCC4)O

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2C#CC3(CCCC3)O)C[C@@H](C(=O)NCCO)NC(=O)C)C4(CCCC4)O

InChI

InChI=1S/C30H38N2O8/c1-3-39-28(36)24-22-17-20(18-23(32-19(2)34)27(35)31-14-15-33)16-21(8-13-29(37)9-4-5-10-29)25(22)40-26(24)30(38)11-6-7-12-30/h16-17,23,33,37-38H,3-7,9-12,14-15,18H2,1-2H3,(H,31,35)(H,32,34)/t23-/m0/s1