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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)N3C=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1[C@H](CCC2)C)N3C=CC=C3

InChI

InChI=1S/C16H19NO2S/c1-3-19-16(18)14-13-11(2)7-6-8-12(13)20-15(14)17-9-4-5-10-17/h4-5,9-11H,3,6-8H2,1-2H3/t11-/m0/s1