methyl 5-bromanyl-3-[[(2R)-2-thiomorpholin-4-ium-4-ylpropanoyl]amino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[[(2R)-2-thiomorpholin-4-ium-4-ylpropanoyl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[(2R)-2-thiomorpholin-4-ium-4-ylpropanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[(2R)-1-oxo-2-(4-thiomorpholin-4-iumyl)propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[(2R)-2-thiomorpholin-4-ium-4-ylpropanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[(2R)-2-thiomorpholin-4-ium-4-ylpropanoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C17H21BrN3O3S+ MolecularWeight: 427.33594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)[NH+]3CCSCC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)[NH+]3CCSCC3

InChI

InChI=1S/C17H20BrN3O3S/c1-10(21-5-7-25-8-6-21)16(22)20-14-12-9-11(18)3-4-13(12)19-15(14)17(23)24-2/h3-4,9-10,19H,5-8H2,1-2H3,(H,20,22)/p+1/t10-/m1/s1