6-azanyl-1-cyclopropyl-8-methyl-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1-cyclopropyl-8-methyl-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid Openeye Name: 6-amino-1-cyclopropyl-8-methyl-4-oxo-7-thiomorpholino-quinoline-3-carboxylic acid CAS Name: 6-amino-1-cyclopropyl-8-methyl-4-oxo-7-thiomorpholin-4-yl-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-cyclopropyl-8-methyl-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid Traditional Name: 6-amino-1-cyclopropyl-4-keto-8-methyl-7-thiomorpholino-quinoline-3-carboxylic acid Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCSCC3)N)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCSCC3)N)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C18H21N3O3S/c1-10-15-12(8-14(19)16(10)20-4-6-25-7-5-20)17(22)13(18(23)24)9-21(15)11-2-3-11/h8-9,11H,2-7,19H2,1H3,(H,23,24)