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

Systemtic Name: 2-[(3-fluorophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[(3-fluorobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-fluorophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[(3-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-fluorobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C16H13FNO3S- MolecularWeight: 318.342723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14FNO3S/c17-10-5-3-4-9(8-10)14(19)18-15-13(16(20)21)11-6-1-2-7-12(11)22-15/h3-5,8H,1-2,6-7H2,(H,18,19)(H,20,21)/p-1