ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-6-nitro-4-oxidanylidene-1-(4-piperazin-1-ylpyridin-2-yl)quinoline-3-carboxylate

Systemtic Name: ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-6-nitro-4-oxidanylidene-1-(4-piperazin-1-ylpyridin-2-yl)quinoline-3-carboxylate Openeye Name: ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-6-nitro-4-oxo-1-(4-piperazin-1-yl-2-pyridyl)quinoline-3-carboxylate CAS Name: 7-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-6-nitro-4-oxo-1-[4-(1-piperazinyl)-2-pyridinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-6-nitro-4-oxo-1-(4-piperazin-1-ylpyridin-2-yl)quinoline-3-carboxylate Traditional Name: 7-[4-(1,3-benzothiazol-2-yl)piperazino]-4-keto-6-nitro-1-(4-piperazino-2-pyridyl)quinoline-3-carboxylic acid ethyl ester Formula: C32H32N8O5S MolecularWeight: 640.71208

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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=NC5=CC=CC=C5S4)C6=NC=CC(=C6)N7CCNCC7

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=NC5=CC=CC=C5S4)C6=NC=CC(=C6)N7CCNCC7

InChI

InChI=1S/C32H32N8O5S/c1-2-45-31(42)23-20-39(29-17-21(7-8-34-29)36-11-9-33-10-12-36)25-19-26(27(40(43)44)18-22(25)30(23)41)37-13-15-38(16-14-37)32-35-24-5-3-4-6-28(24)46-32/h3-8,17-20,33H,2,9-16H2,1H3