3-[4-(acetyloxymethyl)-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid

Systemtic Name: 3-[4-(acetyloxymethyl)-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid Openeye Name: 3-[4-(acetoxymethyl)-2-thioxo-thiazol-3-yl]propanoic acid CAS Name: 3-[4-(acetyloxymethyl)-2-sulfanylidene-3-thiazolyl]propanoic acid IUPAC Name: 3-[4-(acetyloxymethyl)-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid Traditional Name: 3-[4-(acetoxymethyl)-2-thioxo-4-thiazolin-3-yl]propionic acid Formula: C9H11NO4S2 MolecularWeight: 261.31794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CSC(=S)N1CCC(=O)O

Isomeric SMILES

CC(=O)OCC1=CSC(=S)N1CCC(=O)O

InChI

InChI=1S/C9H11NO4S2/c1-6(11)14-4-7-5-16-9(15)10(7)3-2-8(12)13/h5H,2-4H2,1H3,(H,12,13)