(4S)-N-(2-methoxy-5-nitro-phenyl)-1,3-thiazolidin-3-ium-4-carboxamide

Systemtic Name: (4S)-N-(2-methoxy-5-nitro-phenyl)-1,3-thiazolidin-3-ium-4-carboxamide Openeye Name: (4S)-N-(2-methoxy-5-nitro-phenyl)thiazolidin-3-ium-4-carboxamide CAS Name: (4S)-N-(2-methoxy-5-nitrophenyl)-4-thiazolidin-3-iumcarboxamide IUPAC Name: (4S)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazolidin-3-ium-4-carboxamide Traditional Name: (4S)-N-(2-methoxy-5-nitro-phenyl)thiazolidin-3-ium-4-carboxamide Formula: C11H14N3O4S+ MolecularWeight: 284.31156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CSC[NH2+]2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)[C@H]2CSC[NH2+]2

InChI

InChI=1S/C11H13N3O4S/c1-18-10-3-2-7(14(16)17)4-8(10)13-11(15)9-5-19-6-12-9/h2-4,9,12H,5-6H2,1H3,(H,13,15)/p+1/t9-/m1/s1