2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-ethylsulfonyl-1,3-benzoxazole

Systemtic Name: 2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-ethylsulfonyl-1,3-benzoxazole Openeye Name: 2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-ethylsulfonyl-1,3-benzoxazole CAS Name: 2-[3-(3,5-dimethylphenoxy)propylthio]-5-ethylsulfonyl-1,3-benzoxazole IUPAC Name: 2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-ethylsulfonyl-1,3-benzoxazole Traditional Name: 2-[3-(3,5-dimethylphenoxy)propylthio]-5-esyl-1,3-benzoxazole Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCCCOC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCCCOC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C20H23NO4S2/c1-4-27(22,23)17-6-7-19-18(13-17)21-20(25-19)26-9-5-8-24-16-11-14(2)10-15(3)12-16/h6-7,10-13H,4-5,8-9H2,1-3H3