3-[2-(5-chloranyl-1-benzothiophen-3-yl)ethanoyl]-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[2-(5-chloranyl-1-benzothiophen-3-yl)ethanoyl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-[2-(5-chlorobenzothiophen-3-yl)acetyl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[2-(5-chloro-1-benzothiophen-3-yl)-1-oxoethyl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[2-(5-chloro-1-benzothiophen-3-yl)acetyl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[2-(5-chlorobenzothiophen-3-yl)acetyl]-2-hydroxy-6-methyl-pyran-4-one Formula: C16H11ClO4S MolecularWeight: 334.77414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)C(=O)CC2=CSC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)C(=O)CC2=CSC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C16H11ClO4S/c1-8-4-12(18)15(16(20)21-8)13(19)5-9-7-22-14-3-2-10(17)6-11(9)14/h2-4,6-7,20H,5H2,1H3