4-(2-carboxyethylsulfanyl)-3-methyl-4-phenyl-2-sulfanylidene-butanoic acid

Systemtic Name: 4-(2-carboxyethylsulfanyl)-3-methyl-4-phenyl-2-sulfanylidene-butanoic acid Openeye Name: 4-(2-carboxyethylsulfanyl)-3-methyl-4-phenyl-2-thioxo-butanoic acid CAS Name: 4-(2-carboxyethylthio)-3-methyl-4-phenyl-2-sulfanylidenebutanoic acid IUPAC Name: 4-(2-carboxyethylsulfanyl)-3-methyl-4-phenyl-2-sulfanylidenebutanoic acid Traditional Name: 4-(2-carboxyethylthio)-3-methyl-4-phenyl-2-thioxo-butyric acid Formula: C14H16O4S2 MolecularWeight: 312.40444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O4S2/c1-9(12(19)14(17)18)13(20-8-7-11(15)16)10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,15,16)(H,17,18)