2-phenylethanamide; O1-phenyl O2-(phenylmethylsulfanyl) ethanedioate

Systemtic Name: 2-phenylethanamide; O1-phenyl O2-(phenylmethylsulfanyl) ethanedioate Openeye Name: O2-benzylsulfanyl O1-phenyl oxalate; 2-phenylacetamide CAS Name: oxalic acid O1-phenyl ester O2-(phenylmethylthio) ester; 2-phenylacetamide IUPAC Name: 2-O-benzylsulfanyl 1-O-phenyl oxalate; 2-phenylacetamide Traditional Name: oxalic acid O2-(benzylthio) ester O1-phenyl ester; 2-phenylacetamide Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)N.C1=CC=C(C=C1)CSOC(=O)C(=O)OC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N.C1=CC=C(C=C1)CSOC(=O)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C15H12O4S.C8H9NO/c16-14(18-13-9-5-2-6-10-13)15(17)19-20-11-12-7-3-1-4-8-12;9-8(10)6-7-4-2-1-3-5-7/h1-10H,11H2;1-5H,6H2,(H2,9,10)