6-[2-(1-benzothiophen-3-yl)ethanoylamino]-2-(4-but-2-ynoxyphenyl)sulfanyl-hexanoic acid

Systemtic Name: 6-[2-(1-benzothiophen-3-yl)ethanoylamino]-2-(4-but-2-ynoxyphenyl)sulfanyl-hexanoic acid Openeye Name: 6-[[2-(benzothiophen-3-yl)acetyl]amino]-2-(4-but-2-ynoxyphenyl)sulfanyl-hexanoic acid CAS Name: 6-[[2-(1-benzothiophen-3-yl)-1-oxoethyl]amino]-2-[(4-but-2-ynoxyphenyl)thio]hexanoic acid IUPAC Name: 6-[[2-(1-benzothiophen-3-yl)acetyl]amino]-2-(4-but-2-ynoxyphenyl)sulfanylhexanoic acid Traditional Name: 6-[[2-(benzothiophen-3-yl)acetyl]amino]-2-[(4-but-2-ynoxyphenyl)thio]hexanoic acid Formula: C26H27NO4S2 MolecularWeight: 481.62688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)CC2=CSC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)CC2=CSC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C26H27NO4S2/c1-2-3-16-31-20-11-13-21(14-12-20)33-24(26(29)30)10-6-7-15-27-25(28)17-19-18-32-23-9-5-4-8-22(19)23/h4-5,8-9,11-14,18,24H,6-7,10,15-17H2,1H3,(H,27,28)(H,29,30)