2-[[3-(ethanoylsulfanylmethyl)-4-(4-ethoxyphenyl)-2-oxidanylidene-1-phenyl-butyl]amino]ethanoate

Systemtic Name: 2-[[3-(ethanoylsulfanylmethyl)-4-(4-ethoxyphenyl)-2-oxidanylidene-1-phenyl-butyl]amino]ethanoate Openeye Name: 2-[[3-(acetylsulfanylmethyl)-4-(4-ethoxyphenyl)-2-oxo-1-phenyl-butyl]amino]acetate CAS Name: 2-[[3-[(acetylthio)methyl]-4-(4-ethoxyphenyl)-2-oxo-1-phenylbutyl]amino]acetate IUPAC Name: 2-[[3-(acetylsulfanylmethyl)-4-(4-ethoxyphenyl)-2-oxo-1-phenylbutyl]amino]acetate Traditional Name: 2-[[3-[(acetylthio)methyl]-2-keto-1-phenyl-4-p-phenetyl-butyl]amino]acetate Formula: C23H26NO5S- MolecularWeight: 428.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(CSC(=O)C)C(=O)C(C2=CC=CC=C2)NCC(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(CSC(=O)C)C(=O)C(C2=CC=CC=C2)NCC(=O)[O-]

InChI

InChI=1S/C23H27NO5S/c1-3-29-20-11-9-17(10-12-20)13-19(15-30-16(2)25)23(28)22(24-14-21(26)27)18-7-5-4-6-8-18/h4-12,19,22,24H,3,13-15H2,1-2H3,(H,26,27)/p-1