methyl 4-[[methyl-[2-(oxolan-2-ylmethylsulfanyl)phenyl]carbonyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[methyl-[2-(oxolan-2-ylmethylsulfanyl)phenyl]carbonyl-amino]methyl]benzoate Openeye Name: methyl 4-[[methyl-[2-(tetrahydrofuran-2-ylmethylsulfanyl)benzoyl]amino]methyl]benzoate CAS Name: 4-[[methyl-[oxo-[2-(2-oxolanylmethylthio)phenyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[2-(oxolan-2-ylmethylsulfanyl)benzoyl]amino]methyl]benzoate Traditional Name: 4-[[methyl-[2-(tetrahydrofurfurylthio)benzoyl]amino]methyl]benzoic acid methyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC=CC=C2SCC3CCCO3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC=CC=C2SCC3CCCO3

InChI

InChI=1S/C22H25NO4S/c1-23(14-16-9-11-17(12-10-16)22(25)26-2)21(24)19-7-3-4-8-20(19)28-15-18-6-5-13-27-18/h3-4,7-12,18H,5-6,13-15H2,1-2H3