(2-sulfanylidenepyridin-1-yl) 4-[4-(2,4-dinitrophenoxy)-2,6-dimethoxy-phenoxy]butanoate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) 4-[4-(2,4-dinitrophenoxy)-2,6-dimethoxy-phenoxy]butanoate Openeye Name: (2-thioxo-1-pyridyl) 4-[4-(2,4-dinitrophenoxy)-2,6-dimethoxy-phenoxy]butanoate CAS Name: 4-[4-(2,4-dinitrophenoxy)-2,6-dimethoxyphenoxy]butanoic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) 4-[4-(2,4-dinitrophenoxy)-2,6-dimethoxyphenoxy]butanoate Traditional Name: 4-[4-(2,4-dinitrophenoxy)-2,6-dimethoxy-phenoxy]butyric acid (2-thioxo-1-pyridyl) ester Formula: C23H21N3O10S MolecularWeight: 531.49194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCCCC(=O)ON2C=CC=CC2=S)OC)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OCCCC(=O)ON2C=CC=CC2=S)OC)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O10S/c1-32-19-13-16(35-18-9-8-15(25(28)29)12-17(18)26(30)31)14-20(33-2)23(19)34-11-5-7-22(27)36-24-10-4-3-6-21(24)37/h3-4,6,8-10,12-14H,5,7,11H2,1-2H3