[(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 2-indan-5-ylsulfanylacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)acetic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate Traditional Name: 2-(indan-5-ylthio)acetic acid [(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C22H25NO3S MolecularWeight: 383.5038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)CSC2=CC3=C(CCC3)C=C2

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)OC(=O)CSC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C22H25NO3S/c1-16(22(25)23-13-12-17-6-3-2-4-7-17)26-21(24)15-27-20-11-10-18-8-5-9-19(18)14-20/h2-4,6-7,10-11,14,16H,5,8-9,12-13,15H2,1H3,(H,23,25)/t16-/m1/s1