4-[4-(carboxymethyl)-2-sulfanylidene-1,3-thiazol-3-yl]butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO4S2/c11-7(12)2-1-3-10-6(4-8(13)14)5-16-9(10)15/h5H,1-4H2,(H,11,12)(H,13,14)