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

Systemtic Name: ethyl 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-2-phenyl-7-(2-phenylethynyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxo-propyl]-2-phenyl-7-(2-phenylethynyl)benzofuran-3-carboxylate CAS Name: 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxopropyl]-2-phenyl-7-(2-phenylethynyl)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxopropyl]-2-phenyl-7-(2-phenylethynyl)-1-benzofuran-3-carboxylate Traditional Name: 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-keto-propyl]-2-phenyl-7-(2-phenylethynyl)benzofuran-3-carboxylic acid ethyl ester Formula: C32H30N2O6 MolecularWeight: 538.5904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2C#CC3=CC=CC=C3)CC(C(=O)NCCO)NC(=O)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2C#CC3=CC=CC=C3)C[C@@H](C(=O)NCCO)NC(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C32H30N2O6/c1-3-39-32(38)28-26-19-23(20-27(34-21(2)36)31(37)33-16-17-35)18-25(15-14-22-10-6-4-7-11-22)29(26)40-30(28)24-12-8-5-9-13-24/h4-13,18-19,27,35H,3,16-17,20H2,1-2H3,(H,33,37)(H,34,36)/t27-/m0/s1