6-azanyl-1-(4-fluorophenyl)-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1-(4-fluorophenyl)-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid Openeye Name: 6-amino-1-(4-fluorophenyl)-4-oxo-7-thiomorpholino-quinoline-3-carboxylic acid CAS Name: 6-amino-1-(4-fluorophenyl)-4-oxo-7-thiomorpholin-4-yl-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-(4-fluorophenyl)-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid Traditional Name: 6-amino-1-(4-fluorophenyl)-4-keto-7-thiomorpholino-quinoline-3-carboxylic acid Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)N

Isomeric SMILES

C1CSCCN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)N

InChI

InChI=1S/C20H18FN3O3S/c21-12-1-3-13(4-2-12)24-11-15(20(26)27)19(25)14-9-16(22)18(10-17(14)24)23-5-7-28-8-6-23/h1-4,9-11H,5-8,22H2,(H,26,27)