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

Systemtic Name: propan-2-yl 3-(5-bromanylthiophen-2-yl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: isopropyl 3-(5-bromothiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-[(5-bromo-2-thiophenyl)-oxomethyl]-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)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-(5-bromothiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid isopropyl ester Formula: C18H20BrNO3S MolecularWeight: 410.3253

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CCCCN2C1=CC=C2C(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC(C)OC(=O)C1CCCCN2C1=CC=C2C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H20BrNO3S/c1-11(2)23-18(22)12-5-3-4-10-20-13(12)6-7-14(20)17(21)15-8-9-16(19)24-15/h6-9,11-12H,3-5,10H2,1-2H3