[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-[[(1S)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H20N2O5S/c1-14(24)17(11-15-7-3-2-4-8-15)22-19(25)12-27-20(26)13-29-21-23-16-9-5-6-10-18(16)28-21/h2-10,17H,11-13H2,1H3,(H,22,25)/t17-/m0/s1