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

Systemtic Name: methyl 2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO2S/c1-10-5-8-13-14(9-10)21-16(15(13)17(19)20-4)18-11(2)6-7-12(18)3/h6-7,10H,5,8-9H2,1-4H3