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

Systemtic Name: ethyl 2-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromo-2-methoxy-3-methyl-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2-methoxy-3-methyl-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC(=C3OC)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC(=C3OC)C)Br

InChI

InChI=1S/C20H22BrNO4S/c1-4-26-20(24)16-13-7-5-6-8-15(13)27-19(16)22-18(23)14-10-12(21)9-11(2)17(14)25-3/h9-10H,4-8H2,1-3H3,(H,22,23)