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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(COC1=C(C=CC2=C1SC(=C2C(=O)OCC)NC(=O)C)Br)O

Isomeric SMILES

CCN(CC)CC(COC1=C(C=CC2=C1SC(=C2C(=O)OCC)NC(=O)C)Br)O

InChI

InChI=1S/C20H27BrN2O5S/c1-5-23(6-2)10-13(25)11-28-17-15(21)9-8-14-16(20(26)27-7-3)19(22-12(4)24)29-18(14)17/h8-9,13,25H,5-7,10-11H2,1-4H3,(H,22,24)