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

Systemtic Name: 2-(4-tert-butyl-5-naphthalen-2-ylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)ethanoic acid Openeye Name: 2-[4-tert-butyl-5-(2-naphthylsulfanyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid CAS Name: 2-[4-tert-butyl-5-(2-naphthalenylthio)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid IUPAC Name: 2-(4-tert-butyl-5-naphthalen-2-ylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid Traditional Name: 2-[4-tert-butyl-5-(2-naphthylthio)-6,7,8,9-tetrahydropyrid[3,2-b]indolizin-6-yl]acetic acid Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=C3C(CCCN3C2=NC=C1)CC(=O)O)SC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)(C)C1=C2C(=C3C(CCCN3C2=NC=C1)CC(=O)O)SC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H28N2O2S/c1-27(2,3)21-12-13-28-26-23(21)25(24-19(16-22(30)31)9-6-14-29(24)26)32-20-11-10-17-7-4-5-8-18(17)15-20/h4-5,7-8,10-13,15,19H,6,9,14,16H2,1-3H3,(H,30,31)