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

Systemtic Name: 3-[4-(hydroxymethyl)-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid Openeye Name: 3-[4-(hydroxymethyl)-2-thioxo-thiazol-3-yl]propanoic acid CAS Name: 3-[4-(hydroxymethyl)-2-sulfanylidene-3-thiazolyl]propanoic acid IUPAC Name: 3-[4-(hydroxymethyl)-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid Traditional Name: 3-(4-methylol-2-thioxo-4-thiazolin-3-yl)propionic acid Formula: C7H9NO3S2 MolecularWeight: 219.28126

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N(C(=S)S1)CCC(=O)O)CO

Isomeric SMILES

C1=C(N(C(=S)S1)CCC(=O)O)CO

InChI

InChI=1S/C7H9NO3S2/c9-3-5-4-13-7(12)8(5)2-1-6(10)11/h4,9H,1-3H2,(H,10,11)