4-(5-ethoxycarbonyl-4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)butanoic acid

Systemtic Name: 4-(5-ethoxycarbonyl-4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)butanoic acid Openeye Name: 4-(5-ethoxycarbonyl-4-methyl-2-thioxo-thiazol-3-yl)butanoic acid CAS Name: 4-(5-ethoxycarbonyl-4-methyl-2-sulfanylidene-3-thiazolyl)butanoic acid IUPAC Name: 4-(5-ethoxycarbonyl-4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)butanoic acid Traditional Name: 4-(5-carbethoxy-4-methyl-2-thioxo-4-thiazolin-3-yl)butyric acid Formula: C11H15NO4S2 MolecularWeight: 289.3711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)S1)CCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)S1)CCCC(=O)O)C

InChI

InChI=1S/C11H15NO4S2/c1-3-16-10(15)9-7(2)12(11(17)18-9)6-4-5-8(13)14/h3-6H2,1-2H3,(H,13,14)