ethyl 2-[[5-bromanyl-2-(2-methoxyethoxy)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[5-bromanyl-2-(2-methoxyethoxy)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[5-bromo-2-(2-methoxyethoxy)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H24BrNO5S MolecularWeight: 482.38796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)Br)OCCOC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)Br)OCCOC

InChI

InChI=1S/C21H24BrNO5S/c1-3-27-21(25)18-14-6-4-5-7-17(14)29-20(18)23-19(24)15-12-13(22)8-9-16(15)28-11-10-26-2/h8-9,12H,3-7,10-11H2,1-2H3,(H,23,24)