1-tert-butyl-8-methyl-6-nitro-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-8-methyl-6-nitro-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-8-methyl-6-nitro-4-oxo-7-thiomorpholino-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-8-methyl-6-nitro-4-oxo-7-thiomorpholin-4-yl-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-8-methyl-6-nitro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-4-keto-8-methyl-6-nitro-7-thiomorpholino-quinoline-3-carboxylic acid Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCSCC3)[N+](=O)[O-])C(=O)C(=CN2C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCSCC3)[N+](=O)[O-])C(=O)C(=CN2C(C)(C)C)C(=O)O

InChI

InChI=1S/C19H23N3O5S/c1-11-15-12(17(23)13(18(24)25)10-21(15)19(2,3)4)9-14(22(26)27)16(11)20-5-7-28-8-6-20/h9-10H,5-8H2,1-4H3,(H,24,25)