[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-(oxolan-2-ylmethoxy)benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-(oxolan-2-ylmethoxy)benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 3-(2-oxolanylmethoxy)benzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-(oxolan-2-ylmethoxy)benzoate Traditional Name: 3-(tetrahydrofurfuryloxy)benzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=CC(=C2)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)COC2=CC=CC(=C2)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C23H27NO5S/c25-22(24-12-6-14-30-21-10-2-1-3-11-21)17-29-23(26)18-7-4-8-19(15-18)28-16-20-9-5-13-27-20/h1-4,7-8,10-11,15,20H,5-6,9,12-14,16-17H2,(H,24,25)