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

Systemtic Name: propan-2-yl 3-(4-bromanylthiophen-2-yl)carbonyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: isopropyl 3-(4-bromothiophene-2-carbonyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-[(4-bromo-2-thiophenyl)-oxomethyl]-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(4-bromothiophene-2-carbonyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-(4-bromothiophene-2-carbonyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid isopropyl ester Formula: C19H22BrNO3S MolecularWeight: 424.35188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO3S/c1-11(2)24-19(23)14-6-4-5-7-21-15(14)8-12(3)17(21)18(22)16-9-13(20)10-25-16/h8-11,14H,4-7H2,1-3H3