methyl 3-[6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazol-4-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazol-4-yl]sulfanylpropanoate Openeye Name: methyl 3-[6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazol-4-yl]sulfanylpropanoate CAS Name: 3-[[6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-4-indazolyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenylindazol-4-yl]sulfanylpropanoate Traditional Name: 3-[[6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazol-4-yl]thio]propionic acid methyl ester Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C2C(=CC(=C1)[N+](=O)[O-])N(N=C2C3OCCS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCSC1=C2C(=CC(=C1)[N+](=O)[O-])N(N=C2C3OCCS3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O5S2/c1-27-17(24)7-9-29-16-12-14(23(25)26)11-15-18(16)19(20-28-8-10-30-20)21-22(15)13-5-3-2-4-6-13/h2-6,11-12,20H,7-10H2,1H3