2-[5-(4-bromophenyl)sulfanyl-4-propan-2-yl-7,8-dihydro-6H-pyrido[3,4-e]pyrrolizin-6-yl]ethanoic acid

Systemtic Name: 2-[5-(4-bromophenyl)sulfanyl-4-propan-2-yl-7,8-dihydro-6H-pyrido[3,4-e]pyrrolizin-6-yl]ethanoic acid Openeye Name: 2-[5-(4-bromophenyl)sulfanyl-4-isopropyl-7,8-dihydro-6H-pyrido[3,4-e]pyrrolizin-6-yl]acetic acid CAS Name: 2-[5-[(4-bromophenyl)thio]-4-propan-2-yl-7,8-dihydro-6H-pyrido[3,4-e]pyrrolizin-6-yl]acetic acid IUPAC Name: 2-[5-(4-bromophenyl)sulfanyl-4-propan-2-yl-7,8-dihydro-6H-pyrido[3,4-e]pyrrolizin-6-yl]acetic acid Traditional Name: 2-[5-[(4-bromophenyl)thio]-4-isopropyl-7,8-dihydro-6H-pyrido[3,4-e]pyrrolizin-6-yl]acetic acid Formula: C21H21BrN2O2S MolecularWeight: 445.37264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CN=CC2=C1C(=C3N2CCC3CC(=O)O)SC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)C1=CN=CC2=C1C(=C3N2CCC3CC(=O)O)SC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN2O2S/c1-12(2)16-10-23-11-17-19(16)21(27-15-5-3-14(22)4-6-15)20-13(9-18(25)26)7-8-24(17)20/h3-6,10-13H,7-9H2,1-2H3,(H,25,26)