(6S)-2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: (6S)-2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: (6S)-2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: (6S)-2-(2,5-dimethyl-1-pyrrolyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: (6S)-2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: (6S)-2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)O)N3C(=CC=C3C)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)O)N3C(=CC=C3C)C

InChI

InChI=1S/C16H19NO2S/c1-9-4-7-12-13(8-9)20-15(14(12)16(18)19)17-10(2)5-6-11(17)3/h5-6,9H,4,7-8H2,1-3H3,(H,18,19)/t9-/m0/s1