[4-(hydroxymethyl)-2-methoxy-6-(2-thiophen-2-ylethynyl)phenyl] ethanoate

Systemtic Name: [4-(hydroxymethyl)-2-methoxy-6-(2-thiophen-2-ylethynyl)phenyl] ethanoate Openeye Name: [4-(hydroxymethyl)-2-methoxy-6-[2-(2-thienyl)ethynyl]phenyl] acetate CAS Name: acetic acid [4-(hydroxymethyl)-2-methoxy-6-(2-thiophen-2-ylethynyl)phenyl] ester IUPAC Name: [4-(hydroxymethyl)-2-methoxy-6-(2-thiophen-2-ylethynyl)phenyl] acetate Traditional Name: acetic acid [2-methoxy-4-methylol-6-[2-(2-thienyl)ethynyl]phenyl] ester Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1C#CC2=CC=CS2)CO)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1C#CC2=CC=CS2)CO)OC

InChI

InChI=1S/C16H14O4S/c1-11(18)20-16-13(5-6-14-4-3-7-21-14)8-12(10-17)9-15(16)19-2/h3-4,7-9,17H,10H2,1-2H3