2-[[(2S)-2-(4-methoxy-3-nitro-phenyl)-1,3-thiazolidin-3-yl]carbonyl]benzoate

Systemtic Name: 2-[[(2S)-2-(4-methoxy-3-nitro-phenyl)-1,3-thiazolidin-3-yl]carbonyl]benzoate Openeye Name: 2-[(2S)-2-(4-methoxy-3-nitro-phenyl)thiazolidine-3-carbonyl]benzoate CAS Name: 2-[[(2S)-2-(4-methoxy-3-nitrophenyl)-3-thiazolidinyl]-oxomethyl]benzoate IUPAC Name: 2-[(2S)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine-3-carbonyl]benzoate Traditional Name: 2-[(2S)-2-(4-methoxy-3-nitro-phenyl)thiazolidine-3-carbonyl]benzoate Formula: C18H15N2O6S- MolecularWeight: 387.3865

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2N(CCS2)C(=O)C3=CC=CC=C3C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2N(CCS2)C(=O)C3=CC=CC=C3C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6S/c1-26-15-7-6-11(10-14(15)20(24)25)17-19(8-9-27-17)16(21)12-4-2-3-5-13(12)18(22)23/h2-7,10,17H,8-9H2,1H3,(H,22,23)/p-1/t17-/m0/s1