[2-[(E)-3-methyl-1-phenyl-hex-1-en-2-yl]sulfanylphenyl] ethanoate

Systemtic Name: [2-[(E)-3-methyl-1-phenyl-hex-1-en-2-yl]sulfanylphenyl] ethanoate Openeye Name: [2-[(1E)-1-benzylidene-2-methyl-pentyl]sulfanylphenyl] acetate CAS Name: acetic acid [2-[[(E)-3-methyl-1-phenylhex-1-en-2-yl]thio]phenyl] ester IUPAC Name: [2-[(E)-3-methyl-1-phenylhex-1-en-2-yl]sulfanylphenyl] acetate Traditional Name: acetic acid [2-[[(E)-1-(1-methylbutyl)-2-phenyl-vinyl]thio]phenyl] ester Formula: C21H24O2S MolecularWeight: 340.47906

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=CC1=CC=CC=C1)SC2=CC=CC=C2OC(=O)C

Isomeric SMILES

CCCC(C)/C(=C\C1=CC=CC=C1)/SC2=CC=CC=C2OC(=O)C

InChI

InChI=1S/C21H24O2S/c1-4-10-16(2)21(15-18-11-6-5-7-12-18)24-20-14-9-8-13-19(20)23-17(3)22/h5-9,11-16H,4,10H2,1-3H3/b21-15+