2-[(5Z)-4-oxidanylidene-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

Systemtic Name: 2-[(5Z)-4-oxidanylidene-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Openeye Name: 2-[(5Z)-4-oxo-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylene]-2-thioxo-thiazolidin-3-yl]butanedioic acid CAS Name: 2-[(5Z)-4-oxo-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-2-sulfanylidene-3-thiazolidinyl]butanedioic acid IUPAC Name: 2-[(5Z)-4-oxo-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Traditional Name: 2-[(5Z)-4-keto-5-[(3-phenylanthranil-5-yl)methylene]-2-thioxo-thiazolidin-3-yl]succinic acid Formula: C21H14N2O6S2 MolecularWeight: 454.47566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C=C4C(=O)N(C(=S)S4)C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)/C=C\4/C(=O)N(C(=S)S4)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C21H14N2O6S2/c24-17(25)10-15(20(27)28)23-19(26)16(31-21(23)30)9-11-6-7-14-13(8-11)18(29-22-14)12-4-2-1-3-5-12/h1-9,15H,10H2,(H,24,25)(H,27,28)/b16-9-