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

Systemtic Name: 3-thiophen-2-ylcarbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 3-(thiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 3-[oxo(thiophen-2-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 3-(thiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 3-(2-thenoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C15H15NO3S MolecularWeight: 289.3495

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=CC=C2C(=O)C3=CC=CS3)C(C1)C(=O)O

Isomeric SMILES

C1CCN2C(=CC=C2C(=O)C3=CC=CS3)C(C1)C(=O)O

InChI

InChI=1S/C15H15NO3S/c17-14(13-5-3-9-20-13)12-7-6-11-10(15(18)19)4-1-2-8-16(11)12/h3,5-7,9-10H,1-2,4,8H2,(H,18,19)