3-(4-methanoyl-2-sulfanylidene-1,3-thiazol-3-yl)propanoic acid

Systemtic Name: 3-(4-methanoyl-2-sulfanylidene-1,3-thiazol-3-yl)propanoic acid Openeye Name: 3-(4-formyl-2-thioxo-thiazol-3-yl)propanoic acid CAS Name: 3-(4-formyl-2-sulfanylidene-3-thiazolyl)propanoic acid IUPAC Name: 3-(4-formyl-2-sulfanylidene-1,3-thiazol-3-yl)propanoic acid Traditional Name: 3-(4-formyl-2-thioxo-4-thiazolin-3-yl)propionic acid Formula: C7H7NO3S2 MolecularWeight: 217.26538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO3S2/c9-3-5-4-13-7(12)8(5)2-1-6(10)11/h3-4H,1-2H2,(H,10,11)