2-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethoxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: 2-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethoxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: 2-[4-(2-amino-2-oxo-ethoxy)-3-ethoxy-phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: 2-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: 2-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: 2-[4-(2-amino-2-keto-ethoxy)-3-ethoxy-phenyl]thiazolidin-3-ium-4-carboxylate Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5S/c1-2-20-11-5-8(3-4-10(11)21-6-12(15)17)13-16-9(7-22-13)14(18)19/h3-5,9,13,16H,2,6-7H2,1H3,(H2,15,17)(H,18,19)