methyl 6-bromanyl-5-(4-methylsulfinylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: methyl 6-bromanyl-5-(4-methylsulfinylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 6-bromo-5-(4-methylsulfinylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 6-bromo-5-[(4-methylsulfinylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 6-bromo-5-(4-methylsulfinylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 6-bromo-5-(4-methylsulfinylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester Formula: C17H16BrNO4S MolecularWeight: 410.28224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=C(C=C3)S(=O)C)Br

Isomeric SMILES

COC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=C(C=C3)S(=O)C)Br

InChI

InChI=1S/C17H16BrNO4S/c1-23-17(21)12-7-8-19-14(12)9-13(18)15(19)16(20)10-3-5-11(6-4-10)24(2)22/h3-6,9,12H,7-8H2,1-2H3