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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C3=C(S2)CCCC3)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C3=C(S2)CCCC3)C(=O)OC)C

InChI

InChI=1S/C16H19NO2S/c1-10-8-9-11(2)17(10)15-14(16(18)19-3)12-6-4-5-7-13(12)20-15/h8-9H,4-7H2,1-3H3