ethyl 3-thiophen-2-ylcarbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate

Systemtic Name: ethyl 3-thiophen-2-ylcarbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: ethyl 3-(thiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-[oxo(thiophen-2-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(thiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-(2-thenoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid ethyl ester Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN2C1=CC=C2C(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1CCCCN2C1=CC=C2C(=O)C3=CC=CS3

InChI

InChI=1S/C17H19NO3S/c1-2-21-17(20)12-6-3-4-10-18-13(12)8-9-14(18)16(19)15-7-5-11-22-15/h5,7-9,11-12H,2-4,6,10H2,1H3