2-(2-butyl-1,3-benzodithiol-2-yl)-1-thiophen-2-yl-ethanone

Systemtic Name: 2-(2-butyl-1,3-benzodithiol-2-yl)-1-thiophen-2-yl-ethanone Openeye Name: 2-(2-butyl-1,3-benzodithiol-2-yl)-1-(2-thienyl)ethanone CAS Name: 2-(2-butyl-1,3-benzodithiol-2-yl)-1-thiophen-2-ylethanone IUPAC Name: 2-(2-butyl-1,3-benzodithiol-2-yl)-1-thiophen-2-ylethanone Traditional Name: 2-(2-butyl-1,3-benzodithiol-2-yl)-1-(2-thienyl)ethanone Formula: C17H18OS3 MolecularWeight: 334.51922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(SC2=CC=CC=C2S1)CC(=O)C3=CC=CS3

Isomeric SMILES

CCCCC1(SC2=CC=CC=C2S1)CC(=O)C3=CC=CS3

InChI

InChI=1S/C17H18OS3/c1-2-3-10-17(12-13(18)14-9-6-11-19-14)20-15-7-4-5-8-16(15)21-17/h4-9,11H,2-3,10,12H2,1H3