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

Systemtic Name: 2-(butyldisulfanyl)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 2-(butyldisulfanyl)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid CAS Name: 2-[(butyldisulfanyl)-oxomethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 2-(butyldisulfanyl)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 2-(butyldisulfanyl)carbonyl-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid Formula: C17H20N2O3S2 MolecularWeight: 364.4823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3S2/c1-2-3-8-23-24-17(22)19-10-14-12(9-15(19)16(20)21)11-6-4-5-7-13(11)18-14/h4-7,15,18H,2-3,8-10H2,1H3,(H,20,21)