3-[5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Systemtic Name: 3-[5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[5-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[5-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[5-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C18H12N2O4S3 MolecularWeight: 416.49388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)C=C4C(=O)N(C(=S)S4)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)C=C4C(=O)N(C(=S)S4)CCC(=O)O

InChI

InChI=1S/C18H12N2O4S3/c21-15(22)7-8-20-17(23)14(27-18(20)25)9-10-5-6-12(24-10)16-19-11-3-1-2-4-13(11)26-16/h1-6,9H,7-8H2,(H,21,22)