ethyl (2E,4E,6E)-7-(3,3-dimethyl-2H-1-benzothiophen-5-yl)-3-methyl-octa-2,4,6-trienoate

Systemtic Name: ethyl (2E,4E,6E)-7-(3,3-dimethyl-2H-1-benzothiophen-5-yl)-3-methyl-octa-2,4,6-trienoate Openeye Name: ethyl (2E,4E,6E)-7-(3,3-dimethyl-2H-benzothiophen-5-yl)-3-methyl-octa-2,4,6-trienoate CAS Name: (2E,4E,6E)-7-(3,3-dimethyl-2H-1-benzothiophen-5-yl)-3-methylocta-2,4,6-trienoic acid ethyl ester IUPAC Name: ethyl (2E,4E,6E)-7-(3,3-dimethyl-2H-1-benzothiophen-5-yl)-3-methylocta-2,4,6-trienoate Traditional Name: (2E,4E,6E)-7-(3,3-dimethyl-2H-benzothiophen-5-yl)-3-methyl-octa-2,4,6-trienoic acid ethyl ester Formula: C21H26O2S MolecularWeight: 342.49494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)C=CC=C(C)C1=CC2=C(C=C1)SCC2(C)C

Isomeric SMILES

CCOC(=O)/C=C(\C)/C=C/C=C(\C)/C1=CC2=C(C=C1)SCC2(C)C

InChI

InChI=1S/C21H26O2S/c1-6-23-20(22)12-15(2)8-7-9-16(3)17-10-11-19-18(13-17)21(4,5)14-24-19/h7-13H,6,14H2,1-5H3/b8-7+,15-12+,16-9+