methyl 4-(3,3-dimethylbut-1-ynyl)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4-(3,3-dimethylbut-1-ynyl)-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-(3,3-dimethylbut-1-ynyl)benzothiophene-2-carboxylate CAS Name: 4-(3,3-dimethylbut-1-ynyl)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(3,3-dimethylbut-1-ynyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-(3,3-dimethylbut-1-ynyl)benzothiophene-2-carboxylic acid methyl ester Formula: C16H16O2S MolecularWeight: 272.36204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O2S/c1-16(2,3)9-8-11-6-5-7-13-12(11)10-14(19-13)15(17)18-4/h5-7,10H,1-4H3