ethyl 1-methyl-7-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-methyl-7-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-methyl-7-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 1-methyl-7-[4-(5-methyl-1,3,4-thiadiazol-2-yl)-1-piperazinyl]-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-7-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 4-keto-1-methyl-7-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazino]-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C20H22N6O5S MolecularWeight: 458.49088

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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=NN=C(S4)C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=NN=C(S4)C)C

InChI

InChI=1S/C20H22N6O5S/c1-4-31-19(28)14-11-23(3)15-10-16(17(26(29)30)9-13(15)18(14)27)24-5-7-25(8-6-24)20-22-21-12(2)32-20/h9-11H,4-8H2,1-3H3