5-[3-[2-oxidanylidene-4-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]-1,3-oxazinan-3-yl]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[2-oxidanylidene-4-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]-1,3-oxazinan-3-yl]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[4-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-2-oxo-1,3-oxazinan-3-yl]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[4-[(E)-3-hydroxy-4-phenylbut-1-enyl]-2-oxo-1,3-oxazinan-3-yl]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[4-[(E)-3-hydroxy-4-phenylbut-1-enyl]-2-oxo-1,3-oxazinan-3-yl]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[4-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-2-keto-1,3-oxazinan-3-yl]propyl]-2-thenoic acid Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)N(C1C=CC(CC2=CC=CC=C2)O)CCCC3=CC=C(S3)C(=O)O

Isomeric SMILES

C1COC(=O)N(C1/C=C/C(CC2=CC=CC=C2)O)CCCC3=CC=C(S3)C(=O)O

InChI

InChI=1S/C22H25NO5S/c24-18(15-16-5-2-1-3-6-16)9-8-17-12-14-28-22(27)23(17)13-4-7-19-10-11-20(29-19)21(25)26/h1-3,5-6,8-11,17-18,24H,4,7,12-15H2,(H,25,26)/b9-8+