ethyl 2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-(1-pyrrolyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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=C1CCCCC2)N3C=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)N3C=CC=C3

InChI

InChI=1S/C16H19NO2S/c1-2-19-16(18)14-12-8-4-3-5-9-13(12)20-15(14)17-10-6-7-11-17/h6-7,10-11H,2-5,8-9H2,1H3