2-[(5S)-3-ethyl-2-(2-methyl-5-nitro-phenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoic acid

Systemtic Name: 2-[(5S)-3-ethyl-2-(2-methyl-5-nitro-phenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoic acid Openeye Name: 2-[(5S)-3-ethyl-2-(2-methyl-5-nitro-phenyl)imino-4-oxo-thiazolidin-5-yl]acetic acid CAS Name: 2-[(5S)-3-ethyl-2-(2-methyl-5-nitrophenyl)imino-4-oxo-5-thiazolidinyl]acetic acid IUPAC Name: 2-[(5S)-3-ethyl-2-(2-methyl-5-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid Traditional Name: 2-[(5S)-3-ethyl-4-keto-2-(2-methyl-5-nitro-phenyl)imino-thiazolidin-5-yl]acetic acid Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(SC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C)CC(=O)O

Isomeric SMILES

CCN1C(=O)[C@@H](SC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C)CC(=O)O

InChI

InChI=1S/C14H15N3O5S/c1-3-16-13(20)11(7-12(18)19)23-14(16)15-10-6-9(17(21)22)5-4-8(10)2/h4-6,11H,3,7H2,1-2H3,(H,18,19)/t11-/m0/s1