ethyl 5-fluoranyl-3-[[(2S)-2-thiomorpholin-4-ium-4-ylpropanoyl]amino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-fluoranyl-3-[[(2S)-2-thiomorpholin-4-ium-4-ylpropanoyl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-fluoro-3-[[(2S)-2-thiomorpholin-4-ium-4-ylpropanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[(2S)-1-oxo-2-(4-thiomorpholin-4-iumyl)propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-fluoro-3-[[(2S)-2-thiomorpholin-4-ium-4-ylpropanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-[[(2S)-2-thiomorpholin-4-ium-4-ylpropanoyl]amino]-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)C(C)[NH+]3CCSCC3

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN3O3S/c1-3-25-18(24)16-15(13-10-12(19)4-5-14(13)20-16)21-17(23)11(2)22-6-8-26-9-7-22/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,21,23)/p+1/t11-/m0/s1