2-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)ethanone

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)ethanone Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)ethanone CAS Name: 2-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)ethanone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)ethanone Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)ethanone Formula: C16H11NO3S MolecularWeight: 297.32844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H11NO3S/c18-12(16-17-11-3-1-2-4-15(11)21-16)7-10-5-6-13-14(8-10)20-9-19-13/h1-6,8H,7,9H2