methyl 4-(3-methylbut-1-ynyl)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4-(3-methylbut-1-ynyl)-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-(3-methylbut-1-ynyl)benzothiophene-2-carboxylate CAS Name: 4-(3-methylbut-1-ynyl)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-methylbut-1-ynyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-(3-methylbut-1-ynyl)benzothiophene-2-carboxylic acid methyl ester Formula: C15H14O2S MolecularWeight: 258.33546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C#CC1=C2C=C(SC2=CC=C1)C(=O)OC

Isomeric SMILES

CC(C)C#CC1=C2C=C(SC2=CC=C1)C(=O)OC

InChI

InChI=1S/C15H14O2S/c1-10(2)7-8-11-5-4-6-13-12(11)9-14(18-13)15(16)17-3/h4-6,9-10H,1-3H3