[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-keto-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-2-8-16(15-9-4-3-5-10-15)22-19(24)13-26-20(25)14-28-21-23-17-11-6-7-12-18(17)27-21/h3-7,9-12,16H,2,8,13-14H2,1H3,(H,22,24)/t16-/m1/s1