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

Systemtic Name: 2-(4-tert-butyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)ethanoic acid Openeye Name: 2-(4-tert-butyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid CAS Name: 2-[4-tert-butyl-5-(phenylthio)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid IUPAC Name: 2-(4-tert-butyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid Traditional Name: 2-[4-tert-butyl-5-(phenylthio)-6,7,8,9-tetrahydropyrid[3,2-b]indolizin-6-yl]acetic acid Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O2S/c1-23(2,3)17-11-12-24-22-19(17)21(28-16-9-5-4-6-10-16)20-15(14-18(26)27)8-7-13-25(20)22/h4-6,9-12,15H,7-8,13-14H2,1-3H3,(H,26,27)