[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-keto-2-(tetrahydrofurfurylamino)ethyl] ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NCC2CCCO2

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NCC2CCCO2

InChI

InChI=1S/C16H21NO5S/c1-20-14-8-12(23-2)5-6-13(14)16(19)22-10-15(18)17-9-11-4-3-7-21-11/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,17,18)