[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]benzoate CAS Name: 2-[[(2R)-2-oxolanyl]methylthio]benzoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Traditional Name: 2-[[(2R)-tetrahydrofuran-2-yl]methylthio]benzoic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)C1=CC=CC=C1SCC2CCCO2

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)C1=CC=CC=C1SC[C@H]2CCCO2

InChI

InChI=1S/C17H21NO6S/c1-2-22-17(21)18-15(19)10-24-16(20)13-7-3-4-8-14(13)25-11-12-6-5-9-23-12/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,18,19,21)/t12-/m1/s1