methyl 2-[[2-(ethanoylsulfanylmethyl)-4-phenyl-butanoyl]-(4-hydroxyphenyl)amino]ethanoate

Systemtic Name: methyl 2-[[2-(ethanoylsulfanylmethyl)-4-phenyl-butanoyl]-(4-hydroxyphenyl)amino]ethanoate Openeye Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-4-phenyl-butanoyl]-4-hydroxy-anilino)acetate CAS Name: 2-(N-[2-[(acetylthio)methyl]-1-oxo-4-phenylbutyl]-4-hydroxyanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-4-phenylbutanoyl]-4-hydroxyanilino)acetate Traditional Name: 2-(N-[2-[(acetylthio)methyl]-4-phenyl-butanoyl]-4-hydroxy-anilino)acetic acid methyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCC1=CC=CC=C1)C(=O)N(CC(=O)OC)C2=CC=C(C=C2)O

Isomeric SMILES

CC(=O)SCC(CCC1=CC=CC=C1)C(=O)N(CC(=O)OC)C2=CC=C(C=C2)O

InChI

InChI=1S/C22H25NO5S/c1-16(24)29-15-18(9-8-17-6-4-3-5-7-17)22(27)23(14-21(26)28-2)19-10-12-20(25)13-11-19/h3-7,10-13,18,25H,8-9,14-15H2,1-2H3