5-(1-benzothiophen-2-yl)-2-butanoyl-cyclohexane-1,3-dione

Systemtic Name: 5-(1-benzothiophen-2-yl)-2-butanoyl-cyclohexane-1,3-dione Openeye Name: 5-(benzothiophen-2-yl)-2-butanoyl-cyclohexane-1,3-dione CAS Name: 5-(1-benzothiophen-2-yl)-2-(1-oxobutyl)cyclohexane-1,3-dione IUPAC Name: 5-(1-benzothiophen-2-yl)-2-butanoylcyclohexane-1,3-dione Traditional Name: 5-(benzothiophen-2-yl)-2-butyryl-cyclohexane-1,3-quinone Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(CC1=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CCCC(=O)C1C(=O)CC(CC1=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C18H18O3S/c1-2-5-13(19)18-14(20)8-12(9-15(18)21)17-10-11-6-3-4-7-16(11)22-17/h3-4,6-7,10,12,18H,2,5,8-9H2,1H3