[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]benzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC=CC=C1SCC(=O)NCC2=CC=CO2

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC=CC=C1SCC(=O)NCC2=CC=CO2

InChI

InChI=1S/C20H24N2O5S/c1-3-10-21-19(24)14(2)27-20(25)16-8-4-5-9-17(16)28-13-18(23)22-12-15-7-6-11-26-15/h4-9,11,14H,3,10,12-13H2,1-2H3,(H,21,24)(H,22,23)/t14-/m0/s1