methyl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]-(3-hydroxyphenyl)amino]ethanoate

Systemtic Name: methyl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]-(3-hydroxyphenyl)amino]ethanoate Openeye Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]-3-hydroxy-anilino)acetate CAS Name: 2-(N-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-3-hydroxyanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]-3-hydroxyanilino)acetate Traditional Name: 2-(N-[2-[(acetylthio)methyl]-3-phenyl-propanoyl]-3-hydroxy-anilino)acetic acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)N(CC(=O)OC)C2=CC(=CC=C2)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)N(CC(=O)OC)C2=CC(=CC=C2)O

InChI

InChI=1S/C21H23NO5S/c1-15(23)28-14-17(11-16-7-4-3-5-8-16)21(26)22(13-20(25)27-2)18-9-6-10-19(24)12-18/h3-10,12,17,24H,11,13-14H2,1-2H3