2-(decyldisulfanyl)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 2-(decyldisulfanyl)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 2-(decyldisulfanyl)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid CAS Name: 2-[(decyldisulfanyl)-oxomethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 2-(decyldisulfanyl)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 2-(decyldisulfanyl)carbonyl-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid Formula: C23H32N2O3S2 MolecularWeight: 448.64178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSSC(=O)N1CC2=C(CC1C(=O)O)C3=CC=CC=C3N2

Isomeric SMILES

CCCCCCCCCCSSC(=O)N1CC2=C(CC1C(=O)O)C3=CC=CC=C3N2

InChI

InChI=1S/C23H32N2O3S2/c1-2-3-4-5-6-7-8-11-14-29-30-23(28)25-16-20-18(15-21(25)22(26)27)17-12-9-10-13-19(17)24-20/h9-10,12-13,21,24H,2-8,11,14-16H2,1H3,(H,26,27)