4-(1-benzothiophen-2-yl)-2-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(1-benzothiophen-2-yl)-2-methyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(benzothiophen-2-yl)-2-methyl-4-oxo-butanoic acid CAS Name: 4-(1-benzothiophen-2-yl)-2-methyl-4-oxobutanoic acid IUPAC Name: 4-(1-benzothiophen-2-yl)-2-methyl-4-oxobutanoic acid Traditional Name: 4-(benzothiophen-2-yl)-4-keto-2-methyl-butyric acid Formula: C13H12O3S MolecularWeight: 248.29758

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC2=CC=CC=C2S1)C(=O)O

Isomeric SMILES

CC(CC(=O)C1=CC2=CC=CC=C2S1)C(=O)O

InChI

InChI=1S/C13H12O3S/c1-8(13(15)16)6-10(14)12-7-9-4-2-3-5-11(9)17-12/h2-5,7-8H,6H2,1H3,(H,15,16)