2-[(3-phenoxyphenyl)-[4-phenyl-2-(sulfanylmethyl)butanoyl]amino]ethanoic acid

Systemtic Name: 2-[(3-phenoxyphenyl)-[4-phenyl-2-(sulfanylmethyl)butanoyl]amino]ethanoic acid Openeye Name: 2-(3-phenoxy-N-[4-phenyl-2-(sulfanylmethyl)butanoyl]anilino)acetic acid CAS Name: 2-(N-[2-(mercaptomethyl)-1-oxo-4-phenylbutyl]-3-phenoxyanilino)acetic acid IUPAC Name: 2-(3-phenoxy-N-[4-phenyl-2-(sulfanylmethyl)butanoyl]anilino)acetic acid Traditional Name: 2-(N-[2-(mercaptomethyl)-4-phenyl-butanoyl]-3-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=C2)OC3=CC=CC=C3

Isomeric SMILES

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

InChI

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