[(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)OC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H20N2O4S/c1-14(19(24)21-12-11-15-7-3-2-4-8-15)25-18(23)13-27-20-22-16-9-5-6-10-17(16)26-20/h2-10,14H,11-13H2,1H3,(H,21,24)/t14-/m1/s1