2-(methyldisulfanyl)carbonyl-9-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 2-(methyldisulfanyl)carbonyl-9-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 9-benzyl-2-(methyldisulfanyl)carbonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 2-[(methyldisulfanyl)-oxomethyl]-9-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 9-benzyl-2-(methyldisulfanyl)carbonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 9-benzyl-2-(methyldisulfanyl)carbonyl-3,4-dihydro-1H-$b-carboline-3-carboxylic acid Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CSSC(=O)N1CC2=C(CC1C(=O)O)C3=CC=CC=C3N2CC4=CC=CC=C4

Isomeric SMILES

CSSC(=O)N1CC2=C(CC1C(=O)O)C3=CC=CC=C3N2CC4=CC=CC=C4

InChI

InChI=1S/C21H20N2O3S2/c1-27-28-21(26)23-13-19-16(11-18(23)20(24)25)15-9-5-6-10-17(15)22(19)12-14-7-3-2-4-8-14/h2-10,18H,11-13H2,1H3,(H,24,25)