2-[(E)-2-(4-butoxyphenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole

Systemtic Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole Openeye Name: 2-[(E)-2-(4-butoxyphenyl)vinyl]-5-ethylsulfonyl-1,3-benzoxazole CAS Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole IUPAC Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole Traditional Name: 2-[(E)-2-(4-butoxyphenyl)vinyl]-5-esyl-1,3-benzoxazole Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(O2)C=CC(=C3)S(=O)(=O)CC

InChI

InChI=1S/C21H23NO4S/c1-3-5-14-25-17-9-6-16(7-10-17)8-13-21-22-19-15-18(27(23,24)4-2)11-12-20(19)26-21/h6-13,15H,3-5,14H2,1-2H3/b13-8+