(2S,4S)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4S)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]thiazolidin-3-ium-4-carboxylate Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C3[NH2+]C(CS3)C(=O)[O-])OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1[C@H]3[NH2+][C@H](CS3)C(=O)[O-])O[C@H](C2)C

InChI

InChI=1S/C15H19NO4S/c1-3-19-13-5-9-4-8(2)20-12(9)6-10(13)14-16-11(7-21-14)15(17)18/h5-6,8,11,14,16H,3-4,7H2,1-2H3,(H,17,18)/t8-,11+,14-/m0/s1