methyl 4-[(E)-5-phenylpent-1-enyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4-[(E)-5-phenylpent-1-enyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-[(E)-5-phenylpent-1-enyl]benzothiophene-2-carboxylate CAS Name: 4-[(E)-5-phenylpent-1-enyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[(E)-5-phenylpent-1-enyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-[(E)-5-phenylpent-1-enyl]benzothiophene-2-carboxylic acid methyl ester Formula: C21H20O2S MolecularWeight: 336.4473

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC=C2S1)C=CCCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC=C2S1)/C=C/CCCC3=CC=CC=C3

InChI

InChI=1S/C21H20O2S/c1-23-21(22)20-15-18-17(13-8-14-19(18)24-20)12-7-3-6-11-16-9-4-2-5-10-16/h2,4-5,7-10,12-15H,3,6,11H2,1H3/b12-7+