3-(9-ethoxy-9-oxidanylidene-nonanoyl)-2-(3-nitrophenyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-(9-ethoxy-9-oxidanylidene-nonanoyl)-2-(3-nitrophenyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(9-ethoxy-9-oxo-nonanoyl)-2-(3-nitrophenyl)thiazolidine-4-carboxylic acid CAS Name: 3-(9-ethoxy-1,9-dioxononyl)-2-(3-nitrophenyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-(9-ethoxy-9-oxononanoyl)-2-(3-nitrophenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(9-ethoxy-9-keto-nonanoyl)-2-(3-nitrophenyl)thiazolidine-4-carboxylic acid Formula: C21H28N2O7S MolecularWeight: 452.52122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCC(=O)N1C(CSC1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(=O)CCCCCCCC(=O)N1C(CSC1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H28N2O7S/c1-2-30-19(25)12-7-5-3-4-6-11-18(24)22-17(21(26)27)14-31-20(22)15-9-8-10-16(13-15)23(28)29/h8-10,13,17,20H,2-7,11-12,14H2,1H3,(H,26,27)