1-[(E)-10-methoxy-1-phenyl-dec-3-en-1,5-diyn-4-yl]-1,3-dihydro-2-benzothiophene

Systemtic Name: 1-[(E)-10-methoxy-1-phenyl-dec-3-en-1,5-diyn-4-yl]-1,3-dihydro-2-benzothiophene Openeye Name: 1-[(1E)-7-methoxy-1-(3-phenylprop-2-ynylidene)hept-2-ynyl]-1,3-dihydro-2-benzothiophene CAS Name: 1-[(E)-10-methoxy-1-phenyldec-3-en-1,5-diyn-4-yl]-1,3-dihydro-2-benzothiophene IUPAC Name: 1-[(E)-10-methoxy-1-phenyldec-3-en-1,5-diyn-4-yl]-1,3-dihydro-2-benzothiophene Traditional Name: 1-[(E)-1-(6-methoxyhex-1-ynyl)-4-phenyl-but-1-en-3-ynyl]-1,3-dihydroisobenzothiophene Formula: C25H24OS MolecularWeight: 372.52246

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCC#CC(=CC#CC1=CC=CC=C1)C2C3=CC=CC=C3CS2

Isomeric SMILES

COCCCCC#C/C(=C\C#CC1=CC=CC=C1)/C2C3=CC=CC=C3CS2

InChI

InChI=1S/C25H24OS/c1-26-19-10-3-2-7-15-22(17-11-14-21-12-5-4-6-13-21)25-24-18-9-8-16-23(24)20-27-25/h4-6,8-9,12-13,16-18,25H,2-3,10,19-20H2,1H3/b22-17+