ethyl 3-[[2-(oxolan-2-ylmethylsulfanyl)phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-(oxolan-2-ylmethylsulfanyl)phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(tetrahydrofuran-2-ylmethylsulfanyl)benzoyl]amino]benzoate CAS Name: 3-[[oxo-[2-(2-oxolanylmethylthio)phenyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(oxolan-2-ylmethylsulfanyl)benzoyl]amino]benzoate Traditional Name: 3-[[2-(tetrahydrofurfurylthio)benzoyl]amino]benzoic acid ethyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2SCC3CCCO3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2SCC3CCCO3

InChI

InChI=1S/C21H23NO4S/c1-2-25-21(24)15-7-5-8-16(13-15)22-20(23)18-10-3-4-11-19(18)27-14-17-9-6-12-26-17/h3-5,7-8,10-11,13,17H,2,6,9,12,14H2,1H3,(H,22,23)