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

Systemtic Name: 2-[3-(2,5-dimethylphenoxy)propylsulfanyl]-5-ethylsulfonyl-1,3-benzoxazole Openeye Name: 2-[3-(2,5-dimethylphenoxy)propylsulfanyl]-5-ethylsulfonyl-1,3-benzoxazole CAS Name: 2-[3-(2,5-dimethylphenoxy)propylthio]-5-ethylsulfonyl-1,3-benzoxazole IUPAC Name: 2-[3-(2,5-dimethylphenoxy)propylsulfanyl]-5-ethylsulfonyl-1,3-benzoxazole Traditional Name: 2-[3-(2,5-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=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

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