(3-nitrophenyl) 2-[2-(dipropylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: (3-nitrophenyl) 2-[2-(dipropylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: (3-nitrophenyl) 2-[2-(dipropylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(dipropylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-[2-(dipropylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(dipropylamino)-2-keto-ethyl]thio]nicotinic acid (3-nitrophenyl) ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)CSC1=C(C=CC=N1)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C(=O)CSC1=C(C=CC=N1)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-3-11-22(12-4-2)18(24)14-29-19-17(9-6-10-21-19)20(25)28-16-8-5-7-15(13-16)23(26)27/h5-10,13H,3-4,11-12,14H2,1-2H3