(2E)-2-(2-ethanoyl-4H-naphthalen-1-ylidene)-4-methylsulfanyl-3-oxidanylidene-butanoic acid

Systemtic Name: (2E)-2-(2-ethanoyl-4H-naphthalen-1-ylidene)-4-methylsulfanyl-3-oxidanylidene-butanoic acid Openeye Name: (2E)-2-(2-acetyl-4H-naphthalen-1-ylidene)-4-methylsulfanyl-3-oxo-butanoic acid CAS Name: (2E)-2-(2-acetyl-4H-naphthalen-1-ylidene)-4-(methylthio)-3-oxobutanoic acid IUPAC Name: (2E)-2-(2-acetyl-4H-naphthalen-1-ylidene)-4-methylsulfanyl-3-oxobutanoic acid Traditional Name: (2E)-2-(2-acetyl-4H-naphthalen-1-ylidene)-3-keto-4-(methylthio)butyric acid Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CCC2=CC=CC=C2C1=C(C(=O)CSC)C(=O)O

Isomeric SMILES

CC(=O)C\1=CCC2=CC=CC=C2/C1=C(/C(=O)CSC)\C(=O)O

InChI

InChI=1S/C17H16O4S/c1-10(18)12-8-7-11-5-3-4-6-13(11)15(12)16(17(20)21)14(19)9-22-2/h3-6,8H,7,9H2,1-2H3,(H,20,21)/b16-15-