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

Systemtic Name: ethyl 5-fluoranyl-3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 5-fluoro-3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[1-oxo-3-(4-thiomorpholin-4-iumyl)propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-fluoro-3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylic acid ethyl ester Formula: C18H23FN3O3S+ MolecularWeight: 380.456923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CC[NH+]3CCSCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CC[NH+]3CCSCC3

InChI

InChI=1S/C18H22FN3O3S/c1-2-25-18(24)17-16(13-11-12(19)3-4-14(13)20-17)21-15(23)5-6-22-7-9-26-10-8-22/h3-4,11,20H,2,5-10H2,1H3,(H,21,23)/p+1