(4-acetamidophenyl) 2-(oxolan-2-ylmethylsulfanyl)benzoate

Systemtic Name: (4-acetamidophenyl) 2-(oxolan-2-ylmethylsulfanyl)benzoate Openeye Name: (4-acetamidophenyl) 2-(tetrahydrofuran-2-ylmethylsulfanyl)benzoate CAS Name: 2-(2-oxolanylmethylthio)benzoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 2-(oxolan-2-ylmethylsulfanyl)benzoate Traditional Name: 2-(tetrahydrofurfurylthio)benzoic acid (4-acetamidophenyl) ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2SCC3CCCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2SCC3CCCO3

InChI

InChI=1S/C20H21NO4S/c1-14(22)21-15-8-10-16(11-9-15)25-20(23)18-6-2-3-7-19(18)26-13-17-5-4-12-24-17/h2-3,6-11,17H,4-5,12-13H2,1H3,(H,21,22)