(2S,4S)-2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4S)-2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]thiazolidin-3-ium-4-carboxylate Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2[NH2+]C(CS2)C(=O)[O-])CSC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2[NH2+][C@H](CS2)C(=O)[O-])CSC3=CC=CC=N3

InChI

InChI=1S/C17H18N2O3S2/c1-22-14-6-5-11(16-19-13(10-24-16)17(20)21)8-12(14)9-23-15-4-2-3-7-18-15/h2-8,13,16,19H,9-10H2,1H3,(H,20,21)/t13-,16+/m1/s1