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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2CCCCC(C2=C1)C(=O)O)C(=O)C3=CC=CS3

Isomeric SMILES

CCC1=C(N2CCCCC(C2=C1)C(=O)O)C(=O)C3=CC=CS3

InChI

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