methyl 4-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-[2-(1,3-benzodioxol-5-yl)ethynyl]benzothiophene-2-carboxylate CAS Name: 4-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzodioxol-5-yl)ethynyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)ethynyl]benzothiophene-2-carboxylic acid methyl ester Formula: C19H12O4S MolecularWeight: 336.36118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC=C2S1)C#CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC=C2S1)C#CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H12O4S/c1-21-19(20)18-10-14-13(3-2-4-17(14)24-18)7-5-12-6-8-15-16(9-12)23-11-22-15/h2-4,6,8-10H,11H2,1H3