2-methyl-3-oxidanylidene-3-thiophen-2-yl-propanethioic S-acid

Systemtic Name: 2-methyl-3-oxidanylidene-3-thiophen-2-yl-propanethioic S-acid Openeye Name: 2-methyl-3-oxo-3-(2-thienyl)propanethioic S-acid CAS Name: 2-methyl-3-oxo-3-thiophen-2-ylpropanethioic S-acid IUPAC Name: 2-methyl-3-oxo-3-thiophen-2-ylpropanethioic S-acid Traditional Name: 3-keto-2-methyl-3-(2-thienyl)thiopropionic acid Formula: C8H8O2S2 MolecularWeight: 200.27792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CS1)C(=O)S

Isomeric SMILES

CC(C(=O)C1=CC=CS1)C(=O)S

InChI

InChI=1S/C8H8O2S2/c1-5(8(10)11)7(9)6-3-2-4-12-6/h2-5H,1H3,(H,10,11)