2-[(5E)-5-[(2-methoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid

Systemtic Name: 2-[(5E)-5-[(2-methoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Openeye Name: 2-[(5E)-5-[(2-methoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pentanedioic acid CAS Name: 2-[(5E)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanedioic acid IUPAC Name: 2-[(5E)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Traditional Name: 2-[(5E)-4-keto-5-o-anisylidene-2-thioxo-thiazolidin-3-yl]glutaric acid Formula: C16H15NO6S2 MolecularWeight: 381.4234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=C2C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1/C=C/2\C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C16H15NO6S2/c1-23-11-5-3-2-4-9(11)8-12-14(20)17(16(24)25-12)10(15(21)22)6-7-13(18)19/h2-5,8,10H,6-7H2,1H3,(H,18,19)(H,21,22)/b12-8+