ethyl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]-(4-methylphenyl)amino]ethanoate

Systemtic Name: ethyl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]-(4-methylphenyl)amino]ethanoate Openeye Name: ethyl 2-(N-[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]-4-methyl-anilino)acetate CAS Name: 2-(N-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-4-methylanilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(N-[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]-4-methylanilino)acetate Traditional Name: 2-(N-[2-[(acetylthio)methyl]-3-phenyl-propanoyl]-4-methyl-anilino)acetic acid ethyl ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=C(C=C1)C)C(=O)C(CC2=CC=CC=C2)CSC(=O)C

Isomeric SMILES

CCOC(=O)CN(C1=CC=C(C=C1)C)C(=O)C(CC2=CC=CC=C2)CSC(=O)C

InChI

InChI=1S/C23H27NO4S/c1-4-28-22(26)15-24(21-12-10-17(2)11-13-21)23(27)20(16-29-18(3)25)14-19-8-6-5-7-9-19/h5-13,20H,4,14-16H2,1-3H3