(2S,4S)-2-(2-methyl-5-nitro-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4S)-2-(2-methyl-5-nitro-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-(2-methyl-5-nitro-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-(2-methyl-5-nitrophenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-(2-methyl-5-nitrophenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-(2-methyl-5-nitro-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C11H12N2O4S MolecularWeight: 268.28898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])C2[NH2+]C(CS2)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])[C@H]2[NH2+][C@H](CS2)C(=O)[O-]

InChI

InChI=1S/C11H12N2O4S/c1-6-2-3-7(13(16)17)4-8(6)10-12-9(5-18-10)11(14)15/h2-4,9-10,12H,5H2,1H3,(H,14,15)/t9-,10+/m1/s1