[(2S)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate

Systemtic Name: [(2S)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate Openeye Name: [(1S)-1-methyl-2-(N-methylanilino)-2-oxo-ethyl] 2-(2-furylmethylsulfanyl)benzoate CAS Name: 2-(2-furanylmethylthio)benzoic acid [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate Traditional Name: 2-(2-furfurylthio)benzoic acid [(1S)-2-keto-1-methyl-2-(N-methylanilino)ethyl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2SCC3=CC=CO3

Isomeric SMILES

C[C@@H](C(=O)N(C)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2SCC3=CC=CO3

InChI

InChI=1S/C22H21NO4S/c1-16(21(24)23(2)17-9-4-3-5-10-17)27-22(25)19-12-6-7-13-20(19)28-15-18-11-8-14-26-18/h3-14,16H,15H2,1-2H3/t16-/m0/s1