AC1MH656

2-[1-(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid

Also Known As: VU0507604-1|AB00689041-01|AS-871/43476036|2-({1-[3-(methoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic acid|F3023-0287|2-((1-(3-(methoxycarbonyl)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid|2-[1-(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid|2-({1-[3-(methoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2,5-dioxo-3-pyrrolidinyl}sulfanyl)nicotinic acid|2-{1-[3-(methoxycarbonyl)-6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)]-2 ,5-dioxoazolidin-3-ylthio}pyridine-3-carboxylic acid

Molecular Formula	C21H20N2O6S2
Molecular Weight	460.0763 g/mol
LogP	3.1769
Topological Polar Surface Area	113.87 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	460.0763
Monoisotopic Mass	460.0763
Heavy Atoms	31
Complexity	1095.5343

Chemical Identifiers

CAS Number	830352-05-1
SMILES	CC1CCC2=C(C1)SC(=C2C(=O)OC)N3C(=O)CC(C3=O)SC4=C(C=CC=N4)C(=O)O