2-[(2-phenylsulfanyl-1,3-thiazol-5-yl)methylidene]propanedioic acid

Systemtic Name: 2-[(2-phenylsulfanyl-1,3-thiazol-5-yl)methylidene]propanedioic acid Openeye Name: 2-[(2-phenylsulfanylthiazol-5-yl)methylene]propanedioic acid CAS Name: 2-[[2-(phenylthio)-5-thiazolyl]methylidene]propanedioic acid IUPAC Name: 2-[(2-phenylsulfanyl-1,3-thiazol-5-yl)methylidene]propanedioic acid Traditional Name: 2-[[2-(phenylthio)thiazol-5-yl]methylene]malonic acid Formula: C13H9NO4S2 MolecularWeight: 307.34486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC=C(S2)C=C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC=C(S2)C=C(C(=O)O)C(=O)O

InChI

InChI=1S/C13H9NO4S2/c15-11(16)10(12(17)18)6-9-7-14-13(20-9)19-8-4-2-1-3-5-8/h1-7H,(H,15,16)(H,17,18)