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

Systemtic Name: (2S,4S)-2-[5-(2-methyl-5-nitro-phenyl)furan-2-yl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-[5-(2-methyl-5-nitro-phenyl)-2-furyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-[5-(2-methyl-5-nitrophenyl)-2-furanyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-[5-(2-methyl-5-nitrophenyl)furan-2-yl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-[5-(2-methyl-5-nitro-phenyl)-2-furyl]thiazolidin-3-ium-4-carboxylate Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)C3[NH2+]C(CS3)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)[C@H]3[NH2+][C@H](CS3)C(=O)[O-]

InChI

InChI=1S/C15H14N2O5S/c1-8-2-3-9(17(20)21)6-10(8)12-4-5-13(22-12)14-16-11(7-23-14)15(18)19/h2-6,11,14,16H,7H2,1H3,(H,18,19)/t11-,14+/m1/s1