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

Systemtic Name: 2-[(5-bromanylfuran-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[(5-bromofuran-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[(5-bromofuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C14H11BrNO4S- MolecularWeight: 369.21044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(O3)Br)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(O3)Br)C(=O)[O-]

InChI

InChI=1S/C14H12BrNO4S/c15-10-6-5-8(20-10)12(17)16-13-11(14(18)19)7-3-1-2-4-9(7)21-13/h5-6H,1-4H2,(H,16,17)(H,18,19)/p-1