3-(4-bromanylthiophen-2-yl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid

Systemtic Name: 3-(4-bromanylthiophen-2-yl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 3-(4-bromothiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 3-[(4-bromo-2-thiophenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 3-(4-bromothiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 3-(4-bromothiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C15H14BrNO3S MolecularWeight: 368.24556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrNO3S/c16-9-7-13(21-8-9)14(18)12-5-4-11-10(15(19)20)3-1-2-6-17(11)12/h4-5,7-8,10H,1-3,6H2,(H,19,20)