[2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-[4-(acetamidomethyl)phenyl]-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-[4-(acetamidomethyl)phenyl]-2-keto-ethyl] ester Formula: C20H18N2O5S MolecularWeight: 398.43232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H18N2O5S/c1-13(23)21-10-14-6-8-15(9-7-14)17(24)11-26-19(25)12-28-20-22-16-4-2-3-5-18(16)27-20/h2-9H,10-12H2,1H3,(H,21,23)