AC1MS1E3

4-[[3-(3,5-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-4-oxobutanoic acid

Also Known As: 4-{[(2Z)-3-(3,5-dimethylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid|(Z)-4-((3-(3,5-dimethylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid|4-[[3-(3,5-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-4-oxobutanoic acid|5-[1-(3,5-dimethylphenyl)-5,5-dioxo(1,3,4,6,3a,6a-hexahydro-3,5-dithia-1-azape ntalen-2-ylidene)]-4-oxo-5-azapentanoic acid

Molecular Formula	C17H20N2O5S2
Molecular Weight	396.08136 g/mol
LogP	1.76964
Topological Polar Surface Area	104.11 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	396.08136
Monoisotopic Mass	396.08136
Heavy Atoms	26
Complexity	874.16437

Chemical Identifiers

CAS Number	862199-40-4
SMILES	CC1=CC(=CC(=C1)N2C3CS(=O)(=O)CC3SC2=NC(=O)CCC(=O)O)C