4-[(5E)-4-oxidanylidene-5-[(2-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Systemtic Name: 4-[(5E)-4-oxidanylidene-5-[(2-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5E)-4-oxo-5-[(2-prop-2-ynoxyphenyl)methylene]-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5E)-4-oxo-5-[(2-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5E)-4-oxo-5-[(2-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5E)-4-keto-5-(2-propargyloxybenzylidene)-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C17H15NO4S2 MolecularWeight: 361.4353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC=C1C=C2C(=O)N(C(=S)S2)CCCC(=O)O

Isomeric SMILES

C#CCOC1=CC=CC=C1/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)O

InChI

InChI=1S/C17H15NO4S2/c1-2-10-22-13-7-4-3-6-12(13)11-14-16(21)18(17(23)24-14)9-5-8-15(19)20/h1,3-4,6-7,11H,5,8-10H2,(H,19,20)/b14-11+