ethyl 2-acetamido-6-bromanyl-7-[3-(tert-butylamino)-2-oxidanyl-propoxy]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-6-bromanyl-7-[3-(tert-butylamino)-2-oxidanyl-propoxy]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-6-bromo-7-[3-(tert-butylamino)-2-hydroxy-propoxy]benzothiophene-3-carboxylate CAS Name: 2-acetamido-6-bromo-7-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-6-bromo-7-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-6-bromo-7-[3-(tert-butylamino)-2-hydroxy-propoxy]benzothiophene-3-carboxylic acid ethyl ester Formula: C20H27BrN2O5S MolecularWeight: 487.40778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(CNC(C)(C)C)O)Br)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(CNC(C)(C)C)O)Br)NC(=O)C

InChI

InChI=1S/C20H27BrN2O5S/c1-6-27-19(26)15-13-7-8-14(21)16(17(13)29-18(15)23-11(2)24)28-10-12(25)9-22-20(3,4)5/h7-8,12,22,25H,6,9-10H2,1-5H3,(H,23,24)