(6S)-6-tert-butyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (6S)-6-tert-butyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6S)-6-tert-butyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-tert-butyl-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6S)-6-tert-butyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-tert-butyl-2-[[(E)-3-phenylacryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C22H24NO3S- MolecularWeight: 382.49586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3S/c1-22(2,3)15-10-11-16-17(13-15)27-20(19(16)21(25)26)23-18(24)12-9-14-7-5-4-6-8-14/h4-9,12,15H,10-11,13H2,1-3H3,(H,23,24)(H,25,26)/p-1/b12-9+/t15-/m0/s1