2-(3-ethanoylsulfanyl-2-methyl-propanoyl)oxybutanedioic acid

Systemtic Name: 2-(3-ethanoylsulfanyl-2-methyl-propanoyl)oxybutanedioic acid Openeye Name: 2-(3-acetylsulfanyl-2-methyl-propanoyl)oxybutanedioic acid CAS Name: 2-[3-(acetylthio)-2-methyl-1-oxopropoxy]butanedioic acid IUPAC Name: 2-(3-acetylsulfanyl-2-methylpropanoyl)oxybutanedioic acid Traditional Name: 2-[3-(acetylthio)-2-methyl-propanoyl]oxysuccinic acid Formula: C10H14O7S MolecularWeight: 278.27896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)OC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)OC(CC(=O)O)C(=O)O

InChI

InChI=1S/C10H14O7S/c1-5(4-18-6(2)11)10(16)17-7(9(14)15)3-8(12)13/h5,7H,3-4H2,1-2H3,(H,12,13)(H,14,15)