5-(oxan-4-yl)-3-oxidanyl-2-[(4E)-4-[(E)-4-thiophen-2-ylbut-3-enoxy]iminobutyl]cyclohex-2-en-1-one

Systemtic Name: 5-(oxan-4-yl)-3-oxidanyl-2-[(4E)-4-[(E)-4-thiophen-2-ylbut-3-enoxy]iminobutyl]cyclohex-2-en-1-one Openeye Name: 3-hydroxy-5-tetrahydropyran-4-yl-2-[(4E)-4-[(E)-4-(2-thienyl)but-3-enoxy]iminobutyl]cyclohex-2-en-1-one CAS Name: 3-hydroxy-5-(4-oxanyl)-2-[(4E)-4-[(E)-4-thiophen-2-ylbut-3-enoxy]iminobutyl]-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-5-(oxan-4-yl)-2-[(4E)-4-[(E)-4-thiophen-2-ylbut-3-enoxy]iminobutyl]cyclohex-2-en-1-one Traditional Name: 3-hydroxy-5-tetrahydropyran-4-yl-2-[(4E)-4-[(E)-4-(2-thienyl)but-3-enyl]oximinobutyl]cyclohex-2-en-1-one Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C2CC(=C(C(=O)C2)CCCC=NOCCC=CC3=CC=CS3)O

Isomeric SMILES

C1COCCC1C2CC(=C(C(=O)C2)CCC/C=N/OCC/C=C/C3=CC=CS3)O

InChI

InChI=1S/C23H31NO4S/c25-22-16-19(18-9-13-27-14-10-18)17-23(26)21(22)8-1-3-11-24-28-12-4-2-6-20-7-5-15-29-20/h2,5-7,11,15,18-19,25H,1,3-4,8-10,12-14,16-17H2/b6-2+,24-11+