2-[[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-ethanoylsulfanyl-2-oxidanylidene-1-phenyl-butyl]amino]ethanoate

Systemtic Name: 2-[[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-ethanoylsulfanyl-2-oxidanylidene-1-phenyl-butyl]amino]ethanoate Openeye Name: 2-[[3-(acetylsulfanylmethyl)-4-(2,3-dihydrobenzofuran-5-yl)-2-oxo-1-phenyl-butyl]amino]acetate CAS Name: 2-[[3-[(acetylthio)methyl]-4-(2,3-dihydrobenzofuran-5-yl)-2-oxo-1-phenylbutyl]amino]acetate IUPAC Name: 2-[[3-(acetylsulfanylmethyl)-4-(2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1-phenylbutyl]amino]acetate Traditional Name: 2-[[3-[(acetylthio)methyl]-4-coumaran-5-yl-2-keto-1-phenyl-butyl]amino]acetate Formula: C23H24NO5S- MolecularWeight: 426.50536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC2=C(C=C1)OCC2)C(=O)C(C3=CC=CC=C3)NCC(=O)[O-]

Isomeric SMILES

CC(=O)SCC(CC1=CC2=C(C=C1)OCC2)C(=O)C(C3=CC=CC=C3)NCC(=O)[O-]

InChI

InChI=1S/C23H25NO5S/c1-15(25)30-14-19(12-16-7-8-20-18(11-16)9-10-29-20)23(28)22(24-13-21(26)27)17-5-3-2-4-6-17/h2-8,11,19,22,24H,9-10,12-14H2,1H3,(H,26,27)/p-1