AC1NL8HK

N-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2-cyanoacetamide

Also Known As: (E)-N-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-cyanoacetamide|4-[1-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)-5,5-dioxo(1,3,4,6,3a,6a-hexahydr o-3,5-dithia-1-azapentalen-2-ylidene)]-3-oxo-4-azabutanenitrile|N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-cyanoacetamide|N-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2-cyanoacetamide

Molecular Formula	C16H15N3O5S2
Molecular Weight	393.04532 g/mol
LogP	0.92598
Topological Polar Surface Area	109.06 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	393.04532
Monoisotopic Mass	393.04532
Heavy Atoms	26
Complexity	937.69385

Chemical Identifiers

CAS Number	900256-86-2
SMILES	C1C2C(CS1(=O)=O)SC(=NC(=O)CC#N)N2CC3=CC4=C(C=C3)OCO4