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

Systemtic Name: 2-(phenethyldisulfanyl)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 2-(phenethyldisulfanyl)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid CAS Name: 2-[oxo-(phenethyldisulfanyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 2-(phenethyldisulfanyl)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 2-(phenethyldisulfanyl)carbonyl-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C3=CC=CC=C3N2)C(=O)SSCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1C3=CC=CC=C3N2)C(=O)SSCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H20N2O3S2/c24-20(25)19-12-16-15-8-4-5-9-17(15)22-18(16)13-23(19)21(26)28-27-11-10-14-6-2-1-3-7-14/h1-9,19,22H,10-13H2,(H,24,25)