[(1R)-1-phenylethyl] 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [(1R)-1-phenylethyl] 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [(1R)-1-phenylethyl] 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]benzoic acid [(1R)-1-phenylethyl] ester IUPAC Name: [(1R)-1-phenylethyl] 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]benzoic acid [(1R)-1-phenylethyl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2SCC(=O)NCC3=CC=CO3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)OC(=O)C2=CC=CC=C2SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H21NO4S/c1-16(17-8-3-2-4-9-17)27-22(25)19-11-5-6-12-20(19)28-15-21(24)23-14-18-10-7-13-26-18/h2-13,16H,14-15H2,1H3,(H,23,24)/t16-/m1/s1