6-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[5-[[5-(3-nitrophenyl)-2-furyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[5-[[5-(3-nitrophenyl)-2-furanyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[4-keto-5-[[5-(3-nitrophenyl)-2-furyl]methylene]-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C20H18N2O6S2 MolecularWeight: 446.49672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O

InChI

InChI=1S/C20H18N2O6S2/c23-18(24)7-2-1-3-10-21-19(25)17(30-20(21)29)12-15-8-9-16(28-15)13-5-4-6-14(11-13)22(26)27/h4-6,8-9,11-12H,1-3,7,10H2,(H,23,24)