2-[acetyloxy-[4-[(2-thiophen-3-ylphenyl)carbonylamino]phenyl]methyl]-2-phenyl-propanedioic acid

Systemtic Name: 2-[acetyloxy-[4-[(2-thiophen-3-ylphenyl)carbonylamino]phenyl]methyl]-2-phenyl-propanedioic acid Openeye Name: 2-[acetoxy-[4-[[2-(3-thienyl)benzoyl]amino]phenyl]methyl]-2-phenyl-propanedioic acid CAS Name: 2-[acetyloxy-[4-[[oxo-[2-(3-thiophenyl)phenyl]methyl]amino]phenyl]methyl]-2-phenylpropanedioic acid IUPAC Name: 2-[acetyloxy-[4-[(2-thiophen-3-ylbenzoyl)amino]phenyl]methyl]-2-phenylpropanedioic acid Traditional Name: 2-[acetoxy-[4-[[2-(3-thienyl)benzoyl]amino]phenyl]methyl]-2-phenyl-malonic acid Formula: C29H23NO7S MolecularWeight: 529.56042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C3=CSC=C3)C(C4=CC=CC=C4)(C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)OC(C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C3=CSC=C3)C(C4=CC=CC=C4)(C(=O)O)C(=O)O

InChI

InChI=1S/C29H23NO7S/c1-18(31)37-25(29(27(33)34,28(35)36)21-7-3-2-4-8-21)19-11-13-22(14-12-19)30-26(32)24-10-6-5-9-23(24)20-15-16-38-17-20/h2-17,25H,1H3,(H,30,32)(H,33,34)(H,35,36)