[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H21NO4S/c1-3-14-9-10-15(4-2)16(11-14)18(23)12-25-20(24)13-27-21-22-17-7-5-6-8-19(17)26-21/h5-11H,3-4,12-13H2,1-2H3