2-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole

Systemtic Name: 2-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole Openeye Name: 2-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)vinyl]-5-ethylsulfonyl-1,3-benzoxazole CAS Name: 2-[(E)-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole IUPAC Name: 2-[(E)-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole Traditional Name: 5-esyl-2-[(E)-2-(3-ethoxy-4-propargyloxy-phenyl)vinyl]-1,3-benzoxazole Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)CC)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=NC3=C(O2)C=CC(=C3)S(=O)(=O)CC)OCC#C

InChI

InChI=1S/C22H21NO5S/c1-4-13-27-20-10-7-16(14-21(20)26-5-2)8-12-22-23-18-15-17(29(24,25)6-3)9-11-19(18)28-22/h1,7-12,14-15H,5-6,13H2,2-3H3/b12-8+