[2-oxidanylidene-2-[2-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)ethylamino]ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)ethylamino]ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[2-(4-oxo-2-thioxo-thiazolidin-3-yl)ethylamino]ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-oxo-2-[2-(4-oxo-2-sulfanylidene-3-thiazolidinyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethylamino]ethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-keto-2-[2-(4-keto-2-thioxo-thiazolidin-3-yl)ethylamino]ethyl] ester Formula: C15H15N3O8S3 MolecularWeight: 461.4899

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NCCN2C(=O)CSC2=S)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NCCN2C(=O)CSC2=S)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O8S3/c1-29(24,25)11-3-2-9(6-10(11)18(22)23)14(21)26-7-12(19)16-4-5-17-13(20)8-28-15(17)27/h2-3,6H,4-5,7-8H2,1H3,(H,16,19)