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

Systemtic Name: propan-2-yl 3-(3-bromanylthiophen-2-yl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: isopropyl 3-(3-bromothiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-[(3-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-(3-bromothiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-(3-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=C(C=CS3)Br

Isomeric SMILES

CC(C)OC(=O)C1CCCCN2C1=CC=C2C(=O)C3=C(C=CS3)Br

InChI

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