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

Systemtic Name: 2-[[4-(trifluoromethyl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[[4-(trifluoromethyl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[[4-(trifluoromethyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(trifluoromethyl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C17H13F3NO3S- MolecularWeight: 368.35023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F3NO3S/c18-17(19,20)10-7-5-9(6-8-10)14(22)21-15-13(16(23)24)11-3-1-2-4-12(11)25-15/h5-8H,1-4H2,(H,21,22)(H,23,24)/p-1