(6R)-6-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (6R)-6-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6R)-6-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-tert-butyl-2-(2,5-dimethyl-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6R)-6-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C19H24NO2S- MolecularWeight: 330.46436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(N1C2=C(C3=C(S2)C[C@@H](CC3)C(C)(C)C)C(=O)[O-])C

InChI

InChI=1S/C19H25NO2S/c1-11-6-7-12(2)20(11)17-16(18(21)22)14-9-8-13(19(3,4)5)10-15(14)23-17/h6-7,13H,8-10H2,1-5H3,(H,21,22)/p-1/t13-/m1/s1