bis(phenylmethyl) 2-[(1R)-3-oxidanylidene-1-phenyl-3-thiophen-2-yl-propyl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[(1R)-3-oxidanylidene-1-phenyl-3-thiophen-2-yl-propyl]propanedioate Openeye Name: dibenzyl 2-[(1R)-3-oxo-1-phenyl-3-(2-thienyl)propyl]propanedioate CAS Name: 2-[(1R)-3-oxo-1-phenyl-3-thiophen-2-ylpropyl]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[(1R)-3-oxo-1-phenyl-3-thiophen-2-ylpropyl]propanedioate Traditional Name: 2-[(1R)-3-keto-1-phenyl-3-(2-thienyl)propyl]malonic acid dibenzyl ester Formula: C30H26O5S MolecularWeight: 498.58944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C(CC(=O)C2=CC=CS2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C([C@@H](CC(=O)C2=CC=CS2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H26O5S/c31-26(27-17-10-18-36-27)19-25(24-15-8-3-9-16-24)28(29(32)34-20-22-11-4-1-5-12-22)30(33)35-21-23-13-6-2-7-14-23/h1-18,25,28H,19-21H2/t25-/m0/s1