ethyl 2-[(5-bromanylfuran-2-yl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-bromanylfuran-2-yl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromofuran-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromofuran-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2-furoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H18BrNO4S MolecularWeight: 412.29812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C17H18BrNO4S/c1-3-22-17(21)14-10-5-4-9(2)8-12(10)24-16(14)19-15(20)11-6-7-13(18)23-11/h6-7,9H,3-5,8H2,1-2H3,(H,19,20)