ethyl 2-[2-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[2-nitro-4-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-nitro-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetate Traditional Name: 2-[[2-nitro-4-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]thio]acetic acid ethyl ester Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S/c1-2-29-19(25)14-30-17-7-6-15(13-16(17)24(27)28)20(26)23-11-9-22(10-12-23)18-5-3-4-8-21-18/h3-8,13H,2,9-12,14H2,1H3