ethyl 5-fluoranyl-3-(2-thiomorpholin-4-ylethanoylamino)-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-fluoranyl-3-(2-thiomorpholin-4-ylethanoylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 5-fluoro-3-[(2-thiomorpholinoacetyl)amino]-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[(1-oxo-2-thiomorpholin-4-ylethyl)amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-fluoro-3-[(2-thiomorpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-[(2-thiomorpholinoacetyl)amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C17H20FN3O3S MolecularWeight: 365.422403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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