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

Systemtic Name: 2-propyl-3-thiophen-3-ylcarbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 2-propyl-3-(thiophene-3-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 3-[oxo(3-thiophenyl)methyl]-2-propyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 2-propyl-3-(thiophene-3-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 2-propyl-3-(3-thenoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N2CCCCC(C2=C1)C(=O)O)C(=O)C3=CSC=C3

Isomeric SMILES

CCCC1=C(N2CCCCC(C2=C1)C(=O)O)C(=O)C3=CSC=C3

InChI

InChI=1S/C18H21NO3S/c1-2-5-12-10-15-14(18(21)22)6-3-4-8-19(15)16(12)17(20)13-7-9-23-11-13/h7,9-11,14H,2-6,8H2,1H3,(H,21,22)