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

Systemtic Name: 9-(phenylmethyl)-2-(thiophen-2-ylmethyldisulfanyl)carbonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 9-benzyl-2-(2-thienylmethyldisulfanyl)carbonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 2-[oxo-(thiophen-2-ylmethyldisulfanyl)methyl]-9-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 9-benzyl-2-(thiophen-2-ylmethyldisulfanyl)carbonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 9-benzyl-2-(2-thenyldisulfanyl)carbonyl-3,4-dihydro-1H-$b-carboline-3-carboxylic acid Formula: C25H22N2O3S3 MolecularWeight: 494.64878

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C3=CC=CC=C3N2CC4=CC=CC=C4)C(=O)SSCC5=CC=CS5)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1C3=CC=CC=C3N2CC4=CC=CC=C4)C(=O)SSCC5=CC=CS5)C(=O)O

InChI

InChI=1S/C25H22N2O3S3/c28-24(29)22-13-20-19-10-4-5-11-21(19)26(14-17-7-2-1-3-8-17)23(20)15-27(22)25(30)33-32-16-18-9-6-12-31-18/h1-12,22H,13-16H2,(H,28,29)