(2S)-2-[(5E)-4-oxidanylidene-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Systemtic Name: (2S)-2-[(5E)-4-oxidanylidene-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: (2S)-2-[(5E)-4-oxo-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: (2S)-2-[(5E)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: (2S)-2-[(5E)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: (2S)-2-[(5E)-4-keto-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C12H12N2O3S2 MolecularWeight: 296.36528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C(=O)C(=CC2=CC=CN2)SC1=S

Isomeric SMILES

CC[C@@H](C(=O)O)N1C(=O)/C(=C\C2=CC=CN2)/SC1=S

InChI

InChI=1S/C12H12N2O3S2/c1-2-8(11(16)17)14-10(15)9(19-12(14)18)6-7-4-3-5-13-7/h3-6,8,13H,2H2,1H3,(H,16,17)/b9-6+/t8-/m0/s1