(2-methoxyphenyl) 2-(4-but-2-ynoxyphenyl)sulfanylbutanoate

Systemtic Name: (2-methoxyphenyl) 2-(4-but-2-ynoxyphenyl)sulfanylbutanoate Openeye Name: (2-methoxyphenyl) 2-(4-but-2-ynoxyphenyl)sulfanylbutanoate CAS Name: 2-[(4-but-2-ynoxyphenyl)thio]butanoic acid (2-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) 2-(4-but-2-ynoxyphenyl)sulfanylbutanoate Traditional Name: 2-[(4-but-2-ynoxyphenyl)thio]butyric acid (2-methoxyphenyl) ester Formula: C21H22O4S MolecularWeight: 370.46198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1=CC=CC=C1OC)SC2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCC(C(=O)OC1=CC=CC=C1OC)SC2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C21H22O4S/c1-4-6-15-24-16-11-13-17(14-12-16)26-20(5-2)21(22)25-19-10-8-7-9-18(19)23-3/h7-14,20H,5,15H2,1-3H3