[2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-oxo-2-[[(2R)-2-oxolanyl]methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-keto-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl] ester Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NCC2CCCO2

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NC[C@H]2CCCO2

InChI

InChI=1S/C17H21NO5S/c1-12(19)11-24-15-7-3-2-6-14(15)17(21)23-10-16(20)18-9-13-5-4-8-22-13/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,18,20)/t13-/m1/s1