methyl 2-[[2-(ethanoylsulfanylmethyl)-4-phenyl-butanoyl]-(3-phenoxyphenyl)amino]ethanoate

Systemtic Name: methyl 2-[[2-(ethanoylsulfanylmethyl)-4-phenyl-butanoyl]-(3-phenoxyphenyl)amino]ethanoate Openeye Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-4-phenyl-butanoyl]-3-phenoxy-anilino)acetate CAS Name: 2-(N-[2-[(acetylthio)methyl]-1-oxo-4-phenylbutyl]-3-phenoxyanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-4-phenylbutanoyl]-3-phenoxyanilino)acetate Traditional Name: 2-(N-[2-[(acetylthio)methyl]-4-phenyl-butanoyl]-3-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=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC(CCC1=CC=CC=C1)C(=O)N(CC(=O)OC)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

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