methyl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]-(4-methoxyphenyl)amino]ethanoate

Systemtic Name: methyl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]-(4-methoxyphenyl)amino]ethanoate Openeye Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]-4-methoxy-anilino)acetate CAS Name: 2-(N-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-4-methoxyanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]-4-methoxyanilino)acetate Traditional Name: 2-(N-[2-[(acetylthio)methyl]-3-phenyl-propanoyl]-4-methoxy-anilino)acetic acid methyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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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=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S/c1-16(24)29-15-18(13-17-7-5-4-6-8-17)22(26)23(14-21(25)28-3)19-9-11-20(27-2)12-10-19/h4-12,18H,13-15H2,1-3H3