ethyl 1-(1,3-benzothiazol-2-yl)-6-nitro-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate

Systemtic Name: ethyl 1-(1,3-benzothiazol-2-yl)-6-nitro-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 1-(1,3-benzothiazol-2-yl)-6-nitro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)-6-nitro-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzothiazol-2-yl)-6-nitro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)-4-keto-6-nitro-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C28H24N6O5S MolecularWeight: 556.59236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H24N6O5S/c1-2-39-27(36)19-17-33(28-30-20-7-3-4-8-24(20)40-28)21-16-22(23(34(37)38)15-18(21)26(19)35)31-11-13-32(14-12-31)25-9-5-6-10-29-25/h3-10,15-17H,2,11-14H2,1H3