ethyl 5-[(E)-2-[3-(3-methylbut-2-enylsulfanyl)phenyl]ethenyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(E)-2-[3-(3-methylbut-2-enylsulfanyl)phenyl]ethenyl]thiophene-2-carboxylate Openeye Name: ethyl 5-[(E)-2-[3-(3-methylbut-2-enylsulfanyl)phenyl]vinyl]thiophene-2-carboxylate CAS Name: 5-[(E)-2-[3-(3-methylbut-2-enylthio)phenyl]ethenyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-[3-(3-methylbut-2-enylsulfanyl)phenyl]ethenyl]thiophene-2-carboxylate Traditional Name: 5-[(E)-2-[3-(3-methylbut-2-enylthio)phenyl]vinyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H22O2S2 MolecularWeight: 358.51748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(S1)C=CC2=CC(=CC=C2)SCC=C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(S1)/C=C/C2=CC(=CC=C2)SCC=C(C)C

InChI

InChI=1S/C20H22O2S2/c1-4-22-20(21)19-11-10-17(24-19)9-8-16-6-5-7-18(14-16)23-13-12-15(2)3/h5-12,14H,4,13H2,1-3H3/b9-8+