(2S,4S)-2-[4-methoxy-3-[(2-methyl-4-nitro-phenoxy)methyl]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4S)-2-[4-methoxy-3-[(2-methyl-4-nitro-phenoxy)methyl]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-[4-methoxy-3-[(2-methyl-4-nitro-phenoxy)methyl]phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-[4-methoxy-3-[(2-methyl-4-nitrophenoxy)methyl]phenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-[4-methoxy-3-[(2-methyl-4-nitrophenoxy)methyl]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-[4-methoxy-3-[(2-methyl-4-nitro-phenoxy)methyl]phenyl]thiazolidin-3-ium-4-carboxylate Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=C(C=CC(=C2)C3[NH2+]C(CS3)C(=O)[O-])OC

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=C(C=CC(=C2)[C@H]3[NH2+][C@H](CS3)C(=O)[O-])OC

InChI

InChI=1S/C19H20N2O6S/c1-11-7-14(21(24)25)4-6-16(11)27-9-13-8-12(3-5-17(13)26-2)18-20-15(10-28-18)19(22)23/h3-8,15,18,20H,9-10H2,1-2H3,(H,22,23)/t15-,18+/m1/s1