4-(5-ethanoylthiophen-2-yl)-3-iodanyl-butan-2-one

Systemtic Name: 4-(5-ethanoylthiophen-2-yl)-3-iodanyl-butan-2-one Openeye Name: 4-(5-acetyl-2-thienyl)-3-iodo-butan-2-one CAS Name: 4-(5-acetyl-2-thiophenyl)-3-iodo-2-butanone IUPAC Name: 4-(5-acetylthiophen-2-yl)-3-iodobutan-2-one Traditional Name: 4-(5-acetyl-2-thienyl)-3-iodo-butan-2-one Formula: C10H11IO2S MolecularWeight: 322.16261

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)CC(C(=O)C)I

Isomeric SMILES

CC(=O)C1=CC=C(S1)CC(C(=O)C)I

InChI

InChI=1S/C10H11IO2S/c1-6(12)9(11)5-8-3-4-10(14-8)7(2)13/h3-4,9H,5H2,1-2H3