3-[(6-azanyl-1,3-benzodioxol-5-yl)methylidene]thiolan-2-one

Systemtic Name: 3-[(6-azanyl-1,3-benzodioxol-5-yl)methylidene]thiolan-2-one Openeye Name: 3-[(6-amino-1,3-benzodioxol-5-yl)methylene]tetrahydrothiophen-2-one CAS Name: 3-[(6-amino-1,3-benzodioxol-5-yl)methylidene]-2-thiolanone IUPAC Name: 3-[(6-amino-1,3-benzodioxol-5-yl)methylidene]thiolan-2-one Traditional Name: 3-[(6-amino-1,3-benzodioxol-5-yl)methylene]tetrahydrothiophen-2-one Formula: C12H11NO3S MolecularWeight: 249.28564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=O)C1=CC2=CC3=C(C=C2N)OCO3

Isomeric SMILES

C1CSC(=O)C1=CC2=CC3=C(C=C2N)OCO3

InChI

InChI=1S/C12H11NO3S/c13-9-5-11-10(15-6-16-11)4-8(9)3-7-1-2-17-12(7)14/h3-5H,1-2,6,13H2