ethyl 2-acetamido-6-bromanyl-7-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-6-bromanyl-7-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-6-bromo-7-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzothiophene-3-carboxylate CAS Name: 2-acetamido-6-bromo-7-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-6-bromo-7-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-6-bromo-7-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzothiophene-3-carboxylic acid ethyl ester Formula: C20H26BrN2O6S+ MolecularWeight: 502.39924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(C[NH+]3CCOCC3)O)Br)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2OC[C@@H](C[NH+]3CCOCC3)O)Br)NC(=O)C

InChI

InChI=1S/C20H25BrN2O6S/c1-3-28-20(26)16-14-4-5-15(21)17(18(14)30-19(16)22-12(2)24)29-11-13(25)10-23-6-8-27-9-7-23/h4-5,13,25H,3,6-11H2,1-2H3,(H,22,24)/p+1/t13-/m1/s1