2-(3-cyanophenyl)-3-(7-oxidanyl-7-oxidanylidene-heptanoyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-(3-cyanophenyl)-3-(7-oxidanyl-7-oxidanylidene-heptanoyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-(3-cyanophenyl)-3-(7-hydroxy-7-oxo-heptanoyl)thiazolidine-4-carboxylic acid CAS Name: 2-(3-cyanophenyl)-3-(7-hydroxy-1,7-dioxoheptyl)-4-thiazolidinecarboxylic acid IUPAC Name: 2-(3-cyanophenyl)-3-(7-hydroxy-7-oxoheptanoyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-(3-cyanophenyl)-3-(7-hydroxy-7-keto-heptanoyl)thiazolidine-4-carboxylic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(S1)C2=CC=CC(=C2)C#N)C(=O)CCCCCC(=O)O)C(=O)O

Isomeric SMILES

C1C(N(C(S1)C2=CC=CC(=C2)C#N)C(=O)CCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C18H20N2O5S/c19-10-12-5-4-6-13(9-12)17-20(14(11-26-17)18(24)25)15(21)7-2-1-3-8-16(22)23/h4-6,9,14,17H,1-3,7-8,11H2,(H,22,23)(H,24,25)