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

Systemtic Name: (2S)-3-methyl-2-[(5E)-4-oxidanylidene-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: (2S)-3-methyl-2-[(5E)-4-oxo-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: (2S)-3-methyl-2-[(5E)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: (2S)-3-methyl-2-[(5E)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: (2S)-2-[(5E)-4-keto-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-thiazolidin-3-yl]-3-methyl-butyrate Formula: C13H13N2O3S2- MolecularWeight: 309.38392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])N1C(=O)C(=CC2=CC=CN2)SC1=S

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S2/c1-7(2)10(12(17)18)15-11(16)9(20-13(15)19)6-8-4-3-5-14-8/h3-7,10,14H,1-2H3,(H,17,18)/p-1/b9-6+/t10-/m0/s1