(4-but-2-ynoxyphenyl) 2-sulfanylethanoate

Systemtic Name: (4-but-2-ynoxyphenyl) 2-sulfanylethanoate Openeye Name: (4-but-2-ynoxyphenyl) 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid (4-but-2-ynoxyphenyl) ester IUPAC Name: (4-but-2-ynoxyphenyl) 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid (4-but-2-ynoxyphenyl) ester Formula: C12H12O3S MolecularWeight: 236.28688

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)OC(=O)CS

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)OC(=O)CS

InChI

InChI=1S/C12H12O3S/c1-2-3-8-14-10-4-6-11(7-5-10)15-12(13)9-16/h4-7,16H,8-9H2,1H3