2-[3-methoxy-4-[2-(2-nitrooxyethylamino)-2-oxidanylidene-ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-[3-methoxy-4-[2-(2-nitrooxyethylamino)-2-oxidanylidene-ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-[3-methoxy-4-[2-(2-nitrooxyethylamino)-2-oxo-ethoxy]phenyl]thiazolidine-4-carboxylic acid CAS Name: 2-[3-methoxy-4-[2-(2-nitrooxyethylamino)-2-oxoethoxy]phenyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-[3-methoxy-4-[2-(2-nitrooxyethylamino)-2-oxoethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-[4-[2-keto-2-(2-nitrooxyethylamino)ethoxy]-3-methoxy-phenyl]thiazolidine-4-carboxylic acid Formula: C15H19N3O8S MolecularWeight: 401.39166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2NC(CS2)C(=O)O)OCC(=O)NCCO[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2NC(CS2)C(=O)O)OCC(=O)NCCO[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O8S/c1-24-12-6-9(14-17-10(8-27-14)15(20)21)2-3-11(12)25-7-13(19)16-4-5-26-18(22)23/h2-3,6,10,14,17H,4-5,7-8H2,1H3,(H,16,19)(H,20,21)