2-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[(2-chloro-6-fluoro-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-chloro-6-fluorophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[(2-chloro-6-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-chloro-6-fluoro-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C16H12ClFNO3S- MolecularWeight: 352.787783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC=C3Cl)F)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC=C3Cl)F)C(=O)[O-]

InChI

InChI=1S/C16H13ClFNO3S/c17-9-5-3-6-10(18)13(9)14(20)19-15-12(16(21)22)8-4-1-2-7-11(8)23-15/h3,5-6H,1-2,4,7H2,(H,19,20)(H,21,22)/p-1