2-(3,5-dimethylphenoxy)ethyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)CSC2=NC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)CSC2=NC3=CC=CC=C3O2)C

InChI

InChI=1S/C19H19NO4S/c1-13-9-14(2)11-15(10-13)22-7-8-23-18(21)12-25-19-20-16-5-3-4-6-17(16)24-19/h3-6,9-11H,7-8,12H2,1-2H3