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

Systemtic Name: ethyl 6-azanyl-1-(1,3-benzothiazol-2-yl)-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 6-amino-1-(1,3-benzothiazol-2-yl)-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 6-amino-1-(1,3-benzothiazol-2-yl)-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-1-(1,3-benzothiazol-2-yl)-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Traditional Name: 6-amino-1-(1,3-benzothiazol-2-yl)-4-keto-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C28H26N6O3S MolecularWeight: 526.60944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N6O3S/c1-2-37-27(36)19-17-34(28-31-21-7-3-4-8-24(21)38-28)22-16-23(20(29)15-18(22)26(19)35)32-11-13-33(14-12-32)25-9-5-6-10-30-25/h3-10,15-17H,2,11-14,29H2,1H3