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

Systemtic Name: (2S,4S)-2-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-[3-[(1,3-benzoxazol-2-ylthio)methyl]-4-methoxyphenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-[3-[(1,3-benzoxazol-2-ylthio)methyl]-4-methoxy-phenyl]thiazolidin-3-ium-4-carboxylate Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2[NH2+]C(CS2)C(=O)[O-])CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2[NH2+][C@H](CS2)C(=O)[O-])CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H18N2O4S2/c1-24-15-7-6-11(17-20-14(10-26-17)18(22)23)8-12(15)9-27-19-21-13-4-2-3-5-16(13)25-19/h2-8,14,17,20H,9-10H2,1H3,(H,22,23)/t14-,17+/m1/s1