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

Systemtic Name: ethyl 2-acetamido-6-bromanyl-7-[(2R)-2-methyl-3-oxidanyl-propoxy]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-6-bromo-7-[(2R)-3-hydroxy-2-methyl-propoxy]benzothiophene-3-carboxylate CAS Name: 2-acetamido-6-bromo-7-[(2R)-3-hydroxy-2-methylpropoxy]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-6-bromo-7-[(2R)-3-hydroxy-2-methylpropoxy]-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-6-bromo-7-[(2R)-3-hydroxy-2-methyl-propoxy]benzothiophene-3-carboxylic acid ethyl ester Formula: C17H20BrNO5S MolecularWeight: 430.3134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2OC[C@H](C)CO)Br)NC(=O)C

InChI

InChI=1S/C17H20BrNO5S/c1-4-23-17(22)13-11-5-6-12(18)14(24-8-9(2)7-20)15(11)25-16(13)19-10(3)21/h5-6,9,20H,4,7-8H2,1-3H3,(H,19,21)/t9-/m1/s1