3-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(4-methylsulfanyl-3-nitro-benzoyl)thiazolidine-4-carboxylic acid CAS Name: 3-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-(4-methylsulfanyl-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[4-(methylthio)-3-nitro-benzoyl]thiazolidine-4-carboxylic acid Formula: C12H12N2O5S2 MolecularWeight: 328.36408

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CSCC2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CSCC2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O5S2/c1-20-10-3-2-7(4-8(10)14(18)19)11(15)13-6-21-5-9(13)12(16)17/h2-4,9H,5-6H2,1H3,(H,16,17)