ethyl 1-tert-butyl-6-nitro-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 1-tert-butyl-6-nitro-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylate Openeye Name: ethyl 1-tert-butyl-6-nitro-4-oxo-7-thiomorpholino-quinoline-3-carboxylate CAS Name: 1-tert-butyl-6-nitro-4-oxo-7-thiomorpholin-4-yl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-tert-butyl-6-nitro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylate Traditional Name: 1-tert-butyl-4-keto-6-nitro-7-thiomorpholino-quinoline-3-carboxylic acid ethyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCSCC3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCSCC3)C(C)(C)C

InChI

InChI=1S/C20H25N3O5S/c1-5-28-19(25)14-12-22(20(2,3)4)15-11-16(21-6-8-29-9-7-21)17(23(26)27)10-13(15)18(14)24/h10-12H,5-9H2,1-4H3