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

Systemtic Name: ethyl 1-methyl-6-nitro-4-oxidanylidene-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylate Openeye Name: ethyl 1-methyl-6-nitro-4-oxo-7-(4-thiazol-2-ylpiperazin-1-yl)quinoline-3-carboxylate CAS Name: 1-methyl-6-nitro-4-oxo-7-[4-(2-thiazolyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-6-nitro-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 4-keto-1-methyl-6-nitro-7-(4-thiazol-2-ylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C20H21N5O5S MolecularWeight: 443.47624

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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=NC=CS4)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=NC=CS4)C

InChI

InChI=1S/C20H21N5O5S/c1-3-30-19(27)14-12-22(2)15-11-16(17(25(28)29)10-13(15)18(14)26)23-5-7-24(8-6-23)20-21-4-9-31-20/h4,9-12H,3,5-8H2,1-2H3