(2S,4S)-2-(5-chloranyl-2-ethoxy-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4S)-2-(5-chloranyl-2-ethoxy-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-(5-chloro-2-ethoxy-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-(5-chloro-2-ethoxyphenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-(5-chloro-2-ethoxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-(5-chloro-2-ethoxy-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C12H14ClNO3S MolecularWeight: 287.76246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C2[NH2+]C(CS2)C(=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)[C@H]2[NH2+][C@H](CS2)C(=O)[O-]

InChI

InChI=1S/C12H14ClNO3S/c1-2-17-10-4-3-7(13)5-8(10)11-14-9(6-18-11)12(15)16/h3-5,9,11,14H,2,6H2,1H3,(H,15,16)/t9-,11+/m1/s1