ethyl 2-[2-[[3-(4-ethoxyphenoxy)-5-nitro-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[[3-(4-ethoxyphenoxy)-5-nitro-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[3-(4-ethoxyphenoxy)-5-nitro-anilino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[3-(4-ethoxyphenoxy)-5-nitroanilino]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(4-ethoxyphenoxy)-5-nitroanilino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[3-(4-ethoxyphenoxy)-5-nitro-anilino]-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSCC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSCC(=O)OCC

InChI

InChI=1S/C20H22N2O7S/c1-3-27-16-5-7-17(8-6-16)29-18-10-14(9-15(11-18)22(25)26)21-19(23)12-30-13-20(24)28-4-2/h5-11H,3-4,12-13H2,1-2H3,(H,21,23)