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

Systemtic Name: methyl (Z)-2-[2-[(E)-6,6-dimethylhept-2-en-4-ynyl]sulfanyl-3-methyl-phenyl]-3-methoxy-prop-2-enoate Openeye Name: methyl (Z)-2-[2-[(E)-6,6-dimethylhept-2-en-4-ynyl]sulfanyl-3-methyl-phenyl]-3-methoxy-prop-2-enoate CAS Name: (Z)-2-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]thio]-3-methylphenyl]-3-methoxy-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-[2-[(E)-6,6-dimethylhept-2-en-4-ynyl]sulfanyl-3-methylphenyl]-3-methoxyprop-2-enoate Traditional Name: (Z)-2-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]thio]-3-methyl-phenyl]-3-methoxy-acrylic acid methyl ester Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1SCC=CC#CC(C)(C)C)C(=COC)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1SC/C=C/C#CC(C)(C)C)/C(=C/OC)/C(=O)OC

InChI

InChI=1S/C21H26O3S/c1-16-11-10-12-17(18(15-23-5)20(22)24-6)19(16)25-14-9-7-8-13-21(2,3)4/h7,9-12,15H,14H2,1-6H3/b9-7+,18-15-