(2R,4R)-2-[3-ethoxy-4-(4-fluorophenyl)carbonyloxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4R)-2-[3-ethoxy-4-(4-fluorophenyl)carbonyloxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-[3-ethoxy-4-(4-fluorobenzoyl)oxy-phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-[3-ethoxy-4-[(4-fluorophenyl)-oxomethoxy]phenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-[3-ethoxy-4-(4-fluorobenzoyl)oxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-[3-ethoxy-4-(4-fluorobenzoyl)oxy-phenyl]thiazolidin-3-ium-4-carboxylate Formula: C19H18FNO5S MolecularWeight: 391.413323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2[NH2+]C(CS2)C(=O)[O-])OC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2[NH2+][C@@H](CS2)C(=O)[O-])OC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H18FNO5S/c1-2-25-16-9-12(17-21-14(10-27-17)18(22)23)5-8-15(16)26-19(24)11-3-6-13(20)7-4-11/h3-9,14,17,21H,2,10H2,1H3,(H,22,23)/t14-,17+/m0/s1