(2S,4S)-2-[4-(cyanomethoxy)-3-ethoxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4S)-2-[4-(cyanomethoxy)-3-ethoxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-[4-(cyanomethoxy)-3-ethoxy-phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-[4-(cyanomethoxy)-3-ethoxyphenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-[4-(cyanomethoxy)-3-ethoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-[4-(cyanomethoxy)-3-ethoxy-phenyl]thiazolidin-3-ium-4-carboxylate Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2[NH2+]C(CS2)C(=O)[O-])OCC#N

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2[NH2+][C@H](CS2)C(=O)[O-])OCC#N

InChI

InChI=1S/C14H16N2O4S/c1-2-19-12-7-9(3-4-11(12)20-6-5-15)13-16-10(8-21-13)14(17)18/h3-4,7,10,13,16H,2,6,8H2,1H3,(H,17,18)/t10-,13+/m1/s1