6-azanyl-1-tert-butyl-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1-tert-butyl-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid Openeye Name: 6-amino-1-tert-butyl-4-oxo-7-thiomorpholino-quinoline-3-carboxylic acid CAS Name: 6-amino-1-tert-butyl-4-oxo-7-thiomorpholin-4-yl-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-tert-butyl-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid Traditional Name: 6-amino-1-tert-butyl-4-keto-7-thiomorpholino-quinoline-3-carboxylic acid Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCSCC3)N)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCSCC3)N)C(=O)O

InChI

InChI=1S/C18H23N3O3S/c1-18(2,3)21-10-12(17(23)24)16(22)11-8-13(19)15(9-14(11)21)20-4-6-25-7-5-20/h8-10H,4-7,19H2,1-3H3,(H,23,24)