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

Systemtic Name: 1-butyl-2-(methyldisulfanyl)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 1-butyl-2-(methyldisulfanyl)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid CAS Name: 1-butyl-2-[(methyldisulfanyl)-oxomethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 1-butyl-2-(methyldisulfanyl)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 1-butyl-2-(methyldisulfanyl)carbonyl-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(CC(N1C(=O)SSC)C(=O)O)C3=CC=CC=C3N2

Isomeric SMILES

CCCCC1C2=C(CC(N1C(=O)SSC)C(=O)O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H22N2O3S2/c1-3-4-9-14-16-12(11-7-5-6-8-13(11)19-16)10-15(17(21)22)20(14)18(23)25-24-2/h5-8,14-15,19H,3-4,9-10H2,1-2H3,(H,21,22)