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

Systemtic Name: ethyl 2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H23NO2S MolecularWeight: 317.44572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)N3C(=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)N3C(=CC=C3C)C

InChI

InChI=1S/C18H23NO2S/c1-5-21-18(20)16-14-9-6-11(2)10-15(14)22-17(16)19-12(3)7-8-13(19)4/h7-8,11H,5-6,9-10H2,1-4H3