4-cyano-2-[6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid

Systemtic Name: 4-cyano-2-[6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid Openeye Name: 4-cyano-2-[6-[(2-ethoxy-2-oxo-ethyl)amino]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid CAS Name: 4-cyano-2-[[6-[(2-ethoxy-2-oxoethyl)amino]-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]benzoic acid IUPAC Name: 4-cyano-2-[6-[(2-ethoxy-2-oxoethyl)amino]-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxybenzoic acid Traditional Name: 4-cyano-2-[6-[(2-ethoxy-2-keto-ethyl)amino]-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-benzoic acid Formula: C17H15N5O7S MolecularWeight: 433.3953

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C(=NC(=N1)SC)OC2=C(C=CC(=C2)C#N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C(=NC(=N1)SC)OC2=C(C=CC(=C2)C#N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O7S/c1-3-28-12(23)8-19-14-13(22(26)27)15(21-17(20-14)30-2)29-11-6-9(7-18)4-5-10(11)16(24)25/h4-6H,3,8H2,1-2H3,(H,24,25)(H,19,20,21)