methyl (Z)-2-[3-bromanyl-2-[(E)-6,6-dimethylhept-2-en-4-ynyl]sulfanyl-phenyl]-3-methoxy-prop-2-enoate

Systemtic Name: methyl (Z)-2-[3-bromanyl-2-[(E)-6,6-dimethylhept-2-en-4-ynyl]sulfanyl-phenyl]-3-methoxy-prop-2-enoate Openeye Name: methyl (Z)-2-[3-bromo-2-[(E)-6,6-dimethylhept-2-en-4-ynyl]sulfanyl-phenyl]-3-methoxy-prop-2-enoate CAS Name: (Z)-2-[3-bromo-2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]thio]phenyl]-3-methoxy-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-[3-bromo-2-[(E)-6,6-dimethylhept-2-en-4-ynyl]sulfanylphenyl]-3-methoxyprop-2-enoate Traditional Name: (Z)-2-[3-bromo-2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]thio]phenyl]-3-methoxy-acrylic acid methyl ester Formula: C20H23BrO3S MolecularWeight: 423.36382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCSC1=C(C=CC=C1Br)C(=COC)C(=O)OC

Isomeric SMILES

CC(C)(C)C#C/C=C/CSC1=C(C=CC=C1Br)/C(=C/OC)/C(=O)OC

InChI

InChI=1S/C20H23BrO3S/c1-20(2,3)12-7-6-8-13-25-18-15(10-9-11-17(18)21)16(14-23-4)19(22)24-5/h6,8-11,14H,13H2,1-5H3/b8-6+,16-14-