2-[5-(4-bromophenyl)sulfanyl-4-tert-butyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]ethanoic acid

Systemtic Name: 2-[5-(4-bromophenyl)sulfanyl-4-tert-butyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]ethanoic acid Openeye Name: 2-[5-(4-bromophenyl)sulfanyl-4-tert-butyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid CAS Name: 2-[5-[(4-bromophenyl)thio]-4-tert-butyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid IUPAC Name: 2-[5-(4-bromophenyl)sulfanyl-4-tert-butyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid Traditional Name: 2-[5-[(4-bromophenyl)thio]-4-tert-butyl-6,7,8,9-tetrahydropyrid[3,2-b]indolizin-6-yl]acetic acid Formula: C23H25BrN2O2S MolecularWeight: 473.4258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=C3C(CCCN3C2=NC=C1)CC(=O)O)SC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)(C)C1=C2C(=C3C(CCCN3C2=NC=C1)CC(=O)O)SC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H25BrN2O2S/c1-23(2,3)17-10-11-25-22-19(17)21(29-16-8-6-15(24)7-9-16)20-14(13-18(27)28)5-4-12-26(20)22/h6-11,14H,4-5,12-13H2,1-3H3,(H,27,28)