propan-2-yl 3-(5-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-(5-bromanylthiophen-2-yl)carbonyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: isopropyl 3-(5-bromothiophene-2-carbonyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-[(5-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-(5-bromothiophene-2-carbonyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-(5-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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2CCCCC(C2=C1)C(=O)OC(C)C)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=C(N2CCCCC(C2=C1)C(=O)OC(C)C)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C19H22BrNO3S/c1-11(2)24-19(23)13-6-4-5-9-21-14(13)10-12(3)17(21)18(22)15-7-8-16(20)25-15/h7-8,10-11,13H,4-6,9H2,1-3H3