2-(4-but-2-ynoxyphenyl)sulfonyl-2-(thian-4-yl)ethanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(thian-4-yl)ethanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-tetrahydrothiopyran-4-yl-acetic acid CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(4-thianyl)acetic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(thian-4-yl)acetic acid Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-tetrahydrothiopyran-4-yl-acetic acid Formula: C17H20O5S2 MolecularWeight: 368.4677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C2CCSCC2)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C2CCSCC2)C(=O)O

InChI

InChI=1S/C17H20O5S2/c1-2-3-10-22-14-4-6-15(7-5-14)24(20,21)16(17(18)19)13-8-11-23-12-9-13/h4-7,13,16H,8-12H2,1H3,(H,18,19)