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

Systemtic Name: methyl 2-[[2-(ethanoylsulfanylmethyl)-4-phenyl-butanoyl]-(2-phenoxyphenyl)amino]ethanoate Openeye Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-4-phenyl-butanoyl]-2-phenoxy-anilino)acetate CAS Name: 2-(N-[2-[(acetylthio)methyl]-1-oxo-4-phenylbutyl]-2-phenoxyanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-4-phenylbutanoyl]-2-phenoxyanilino)acetate Traditional Name: 2-(N-[2-[(acetylthio)methyl]-4-phenyl-butanoyl]-2-phenoxy-anilino)acetic acid methyl ester Formula: C28H29NO5S MolecularWeight: 491.59856

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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=CC=C2OC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC(CCC1=CC=CC=C1)C(=O)N(CC(=O)OC)C2=CC=CC=C2OC3=CC=CC=C3

InChI

InChI=1S/C28H29NO5S/c1-21(30)35-20-23(18-17-22-11-5-3-6-12-22)28(32)29(19-27(31)33-2)25-15-9-10-16-26(25)34-24-13-7-4-8-14-24/h3-16,23H,17-20H2,1-2H3