2-[(4-phenoxyphenyl)-[4-phenyl-2-(sulfanylmethyl)butanoyl]amino]ethanoic acid

Systemtic Name: 2-[(4-phenoxyphenyl)-[4-phenyl-2-(sulfanylmethyl)butanoyl]amino]ethanoic acid Openeye Name: 2-(4-phenoxy-N-[4-phenyl-2-(sulfanylmethyl)butanoyl]anilino)acetic acid CAS Name: 2-(N-[2-(mercaptomethyl)-1-oxo-4-phenylbutyl]-4-phenoxyanilino)acetic acid IUPAC Name: 2-(4-phenoxy-N-[4-phenyl-2-(sulfanylmethyl)butanoyl]anilino)acetic acid Traditional Name: 2-(N-[2-(mercaptomethyl)-4-phenyl-butanoyl]-4-phenoxy-anilino)acetic acid Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CS)C(=O)N(CC(=O)O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC(CS)C(=O)N(CC(=O)O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H25NO4S/c27-24(28)17-26(25(29)20(18-31)12-11-19-7-3-1-4-8-19)21-13-15-23(16-14-21)30-22-9-5-2-6-10-22/h1-10,13-16,20,31H,11-12,17-18H2,(H,27,28)