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

Systemtic Name: butyl 3-thiophen-2-ylcarbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO3S/c1-2-3-12-23-19(22)14-7-4-5-11-20-15(14)9-10-16(20)18(21)17-8-6-13-24-17/h6,8-10,13-14H,2-5,7,11-12H2,1H3