2-(4-morpholin-4-ylbut-2-ynyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-(4-morpholin-4-ylbut-2-ynyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-(4-morpholinobut-2-ynyl)-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[4-(4-morpholinyl)but-2-ynyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-(4-morpholin-4-ylbut-2-ynyl)-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-(4-morpholinobut-2-ynyl)-1,2-benzothiazol-3-one Formula: C15H16N2O4S MolecularWeight: 320.36354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC#CCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

C1COCCN1CC#CCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C15H16N2O4S/c18-15-13-5-1-2-6-14(13)22(19,20)17(15)8-4-3-7-16-9-11-21-12-10-16/h1-2,5-6H,7-12H2