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

Systemtic Name: methyl 5-(4-bromophenyl)carbonyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 5-(4-bromobenzoyl)-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-[(4-bromophenyl)-oxomethyl]-6-(methylthio)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-bromobenzoyl)-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-(4-bromobenzoyl)-6-(methylthio)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester Formula: C17H16BrNO3S MolecularWeight: 394.28284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO3S/c1-22-17(21)12-7-8-19-13(12)9-14(23-2)15(19)16(20)10-3-5-11(18)6-4-10/h3-6,9,12H,7-8H2,1-2H3