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

Systemtic Name: 2-[4-tert-butyl-5-(4-methylphenyl)sulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]ethanoic acid Openeye Name: 2-[4-tert-butyl-5-(p-tolylsulfanyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid CAS Name: 2-[4-tert-butyl-5-[(4-methylphenyl)thio]-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid IUPAC Name: 2-[4-tert-butyl-5-(4-methylphenyl)sulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid Traditional Name: 2-[4-tert-butyl-5-(p-tolylthio)-6,7,8,9-tetrahydropyrid[3,2-b]indolizin-6-yl]acetic acid Formula: C24H28N2O2S MolecularWeight: 408.55632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C3C(CCCN3C4=NC=CC(=C24)C(C)(C)C)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C3C(CCCN3C4=NC=CC(=C24)C(C)(C)C)CC(=O)O

InChI

InChI=1S/C24H28N2O2S/c1-15-7-9-17(10-8-15)29-22-20-18(24(2,3)4)11-12-25-23(20)26-13-5-6-16(21(22)26)14-19(27)28/h7-12,16H,5-6,13-14H2,1-4H3,(H,27,28)