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

Systemtic Name: 2-[(2-phenoxyphenyl)-[4-phenyl-2-(sulfanylmethyl)butanoyl]amino]ethanoic acid Openeye Name: 2-(2-phenoxy-N-[4-phenyl-2-(sulfanylmethyl)butanoyl]anilino)acetic acid CAS Name: 2-(N-[2-(mercaptomethyl)-1-oxo-4-phenylbutyl]-2-phenoxyanilino)acetic acid IUPAC Name: 2-(2-phenoxy-N-[4-phenyl-2-(sulfanylmethyl)butanoyl]anilino)acetic acid Traditional Name: 2-(N-[2-(mercaptomethyl)-4-phenyl-butanoyl]-2-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=CC=C2OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC(CS)C(=O)N(CC(=O)O)C2=CC=CC=C2OC3=CC=CC=C3

InChI

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