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

Systemtic Name: (6S)-6-tert-butyl-2-[(3-fluorophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6S)-6-tert-butyl-2-[(3-fluorobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-tert-butyl-2-[[(3-fluorophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6S)-6-tert-butyl-2-[(3-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-tert-butyl-2-[(3-fluorobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C20H21FNO3S- MolecularWeight: 374.449043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H22FNO3S/c1-20(2,3)12-7-8-14-15(10-12)26-18(16(14)19(24)25)22-17(23)11-5-4-6-13(21)9-11/h4-6,9,12H,7-8,10H2,1-3H3,(H,22,23)(H,24,25)/p-1/t12-/m0/s1