3-[(E)-2-(1-hydroxyethyl)-5-oxidanyl-hex-1-en-3-ynyl]-2-phenyl-thiochromen-4-one

Systemtic Name: 3-[(E)-2-(1-hydroxyethyl)-5-oxidanyl-hex-1-en-3-ynyl]-2-phenyl-thiochromen-4-one Openeye Name: 3-[(E)-5-hydroxy-2-(1-hydroxyethyl)hex-1-en-3-ynyl]-2-phenyl-thiochromen-4-one CAS Name: 3-[(E)-5-hydroxy-2-(1-hydroxyethyl)hex-1-en-3-ynyl]-2-phenyl-1-benzothiopyran-4-one IUPAC Name: 3-[(E)-5-hydroxy-2-(1-hydroxyethyl)hex-1-en-3-ynyl]-2-phenylthiochromen-4-one Traditional Name: 3-[(E)-5-hydroxy-2-(1-hydroxyethyl)hex-1-en-3-ynyl]-2-phenyl-thiochromen-4-one Formula: C23H20O3S MolecularWeight: 376.4681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC(=CC1=C(SC2=CC=CC=C2C1=O)C3=CC=CC=C3)C(C)O)O

Isomeric SMILES

CC(C#C/C(=C\C1=C(SC2=CC=CC=C2C1=O)C3=CC=CC=C3)/C(C)O)O

InChI

InChI=1S/C23H20O3S/c1-15(24)12-13-18(16(2)25)14-20-22(26)19-10-6-7-11-21(19)27-23(20)17-8-4-3-5-9-17/h3-11,14-16,24-25H,1-2H3/b18-14+