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

Systemtic Name: methyl 2-[[2-(ethanoylsulfanylmethyl)-4-phenyl-butanoyl]-(3-phenylmethoxyphenyl)amino]ethanoate Openeye Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-4-phenyl-butanoyl]-3-benzyloxy-anilino)acetate CAS Name: 2-(N-[2-[(acetylthio)methyl]-1-oxo-4-phenylbutyl]-3-phenylmethoxyanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-4-phenylbutanoyl]-3-phenylmethoxyanilino)acetate Traditional Name: 2-(N-[2-[(acetylthio)methyl]-4-phenyl-butanoyl]-3-benzoxy-anilino)acetic acid methyl ester Formula: C29H31NO5S MolecularWeight: 505.62514

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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)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC(CCC1=CC=CC=C1)C(=O)N(CC(=O)OC)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C29H31NO5S/c1-22(31)36-21-25(17-16-23-10-5-3-6-11-23)29(33)30(19-28(32)34-2)26-14-9-15-27(18-26)35-20-24-12-7-4-8-13-24/h3-15,18,25H,16-17,19-21H2,1-2H3