methyl 2-[(Z)-6-phenylhept-5-enoyl]sulfanylbenzoate

Systemtic Name: methyl 2-[(Z)-6-phenylhept-5-enoyl]sulfanylbenzoate Openeye Name: methyl 2-[(Z)-6-phenylhept-5-enoyl]sulfanylbenzoate CAS Name: 2-[[(Z)-1-oxo-6-phenylhept-5-enyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[(Z)-6-phenylhept-5-enoyl]sulfanylbenzoate Traditional Name: 2-[[(Z)-6-phenylhept-5-enoyl]thio]benzoic acid methyl ester Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCCC(=O)SC1=CC=CC=C1C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

C/C(=C/CCCC(=O)SC1=CC=CC=C1C(=O)OC)/C2=CC=CC=C2

InChI

InChI=1S/C21H22O3S/c1-16(17-11-4-3-5-12-17)10-6-9-15-20(22)25-19-14-8-7-13-18(19)21(23)24-2/h3-5,7-8,10-14H,6,9,15H2,1-2H3/b16-10-