ethyl 8-fluoranyl-2-oxidanylidene-3-(thiomorpholin-4-ylmethyl)-1,5-dihydro-1,5-benzodiazepine-4-carboxylate

Systemtic Name: ethyl 8-fluoranyl-2-oxidanylidene-3-(thiomorpholin-4-ylmethyl)-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Openeye Name: ethyl 8-fluoro-2-oxo-3-(thiomorpholinomethyl)-1,5-dihydro-1,5-benzodiazepine-4-carboxylate CAS Name: 8-fluoro-2-oxo-3-(thiomorpholin-4-ylmethyl)-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 8-fluoro-2-oxo-3-(thiomorpholin-4-ylmethyl)-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Traditional Name: 8-fluoro-2-keto-3-(thiomorpholinomethyl)-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester Formula: C17H20FN3O3S MolecularWeight: 365.422403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)NC2=C(N1)C=CC(=C2)F)CN3CCSCC3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)NC2=C(N1)C=CC(=C2)F)CN3CCSCC3

InChI

InChI=1S/C17H20FN3O3S/c1-2-24-17(23)15-12(10-21-5-7-25-8-6-21)16(22)20-14-9-11(18)3-4-13(14)19-15/h3-4,9,19H,2,5-8,10H2,1H3,(H,20,22)