methyl 2-bromanyl-3-(4-methylsulfinylphenyl)carbonyl-3,5,6,7-tetrahydropyrrolizine-2-carboxylate

Systemtic Name: methyl 2-bromanyl-3-(4-methylsulfinylphenyl)carbonyl-3,5,6,7-tetrahydropyrrolizine-2-carboxylate Openeye Name: methyl 2-bromo-3-(4-methylsulfinylbenzoyl)-3,5,6,7-tetrahydropyrrolizine-2-carboxylate CAS Name: 2-bromo-3-[(4-methylsulfinylphenyl)-oxomethyl]-3,5,6,7-tetrahydropyrrolizine-2-carboxylic acid methyl ester IUPAC Name: methyl 2-bromo-3-(4-methylsulfinylbenzoyl)-3,5,6,7-tetrahydropyrrolizine-2-carboxylate Traditional Name: 2-bromo-3-(4-methylsulfinylbenzoyl)-3,5,6,7-tetrahydropyrrolizine-2-carboxylic acid methyl ester Formula: C17H18BrNO4S MolecularWeight: 412.29812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C=C2CCCN2C1C(=O)C3=CC=C(C=C3)S(=O)C)Br

Isomeric SMILES

COC(=O)C1(C=C2CCCN2C1C(=O)C3=CC=C(C=C3)S(=O)C)Br

InChI

InChI=1S/C17H18BrNO4S/c1-23-16(21)17(18)10-12-4-3-9-19(12)15(17)14(20)11-5-7-13(8-6-11)24(2)22/h5-8,10,15H,3-4,9H2,1-2H3