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

Systemtic Name: 3-(4-bromanylthiophen-2-yl)carbonyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 3-(4-bromothiophene-2-carbonyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 3-[(4-bromo-2-thiophenyl)-oxomethyl]-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 3-(4-bromothiophene-2-carbonyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 3-(4-bromothiophene-2-carbonyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C16H16BrNO3S MolecularWeight: 382.27214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2CCCCC(C2=C1)C(=O)O)C(=O)C3=CC(=CS3)Br

Isomeric SMILES

CC1=C(N2CCCCC(C2=C1)C(=O)O)C(=O)C3=CC(=CS3)Br

InChI

InChI=1S/C16H16BrNO3S/c1-9-6-12-11(16(20)21)4-2-3-5-18(12)14(9)15(19)13-7-10(17)8-22-13/h6-8,11H,2-5H2,1H3,(H,20,21)