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

Systemtic Name: propyl 3-thiophen-2-ylcarbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3S/c1-2-11-22-18(21)13-6-3-4-10-19-14(13)8-9-15(19)17(20)16-7-5-12-23-16/h5,7-9,12-13H,2-4,6,10-11H2,1H3