(E)-4-[5-(3-oxidanylpropyl)-4-phenethyl-1,3-thiazol-2-yl]-1-(3-phenylpropylsulfanyl)but-3-en-2-one

Systemtic Name: (E)-4-[5-(3-oxidanylpropyl)-4-phenethyl-1,3-thiazol-2-yl]-1-(3-phenylpropylsulfanyl)but-3-en-2-one Openeye Name: (E)-4-[5-(3-hydroxypropyl)-4-phenethyl-thiazol-2-yl]-1-(3-phenylpropylsulfanyl)but-3-en-2-one CAS Name: (E)-4-[5-(3-hydroxypropyl)-4-phenethyl-2-thiazolyl]-1-(3-phenylpropylthio)-3-buten-2-one IUPAC Name: (E)-4-[5-(3-hydroxypropyl)-4-phenethyl-1,3-thiazol-2-yl]-1-(3-phenylpropylsulfanyl)but-3-en-2-one Traditional Name: (E)-4-[5-(3-hydroxypropyl)-4-phenethyl-thiazol-2-yl]-1-(3-phenylpropylthio)but-3-en-2-one Formula: C27H31NO2S2 MolecularWeight: 465.67054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSCC(=O)C=CC2=NC(=C(S2)CCCO)CCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCSCC(=O)/C=C/C2=NC(=C(S2)CCCO)CCC3=CC=CC=C3

InChI

InChI=1S/C27H31NO2S2/c29-19-7-14-26-25(17-15-23-11-5-2-6-12-23)28-27(32-26)18-16-24(30)21-31-20-8-13-22-9-3-1-4-10-22/h1-6,9-12,16,18,29H,7-8,13-15,17,19-21H2/b18-16+