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

Systemtic Name: ethyl 2-[(5-bromanyl-2,3,4-trimethyl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromo-2,3,4-trimethyl-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(5-bromo-2,3,4-trimethylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-2,3,4-trimethylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2,3,4-trimethyl-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H24BrNO3S MolecularWeight: 450.38916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C(=C3C)C)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C(=C3C)C)C)Br

InChI

InChI=1S/C21H24BrNO3S/c1-5-26-21(25)18-14-8-6-7-9-17(14)27-20(18)23-19(24)15-10-16(22)13(4)11(2)12(15)3/h10H,5-9H2,1-4H3,(H,23,24)