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

Systemtic Name: ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-cyclopropyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-cyclopropyl-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-1-cyclopropyl-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-cyclopropyl-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[4-(1,3-benzothiazol-2-yl)piperazino]-1-cyclopropyl-4-keto-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C26H25N5O5S MolecularWeight: 519.5722

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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)C6CC6

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=NC5=CC=CC=C5S4)C6CC6

InChI

InChI=1S/C26H25N5O5S/c1-2-36-25(33)18-15-30(16-7-8-16)20-14-21(22(31(34)35)13-17(20)24(18)32)28-9-11-29(12-10-28)26-27-19-5-3-4-6-23(19)37-26/h3-6,13-16H,2,7-12H2,1H3