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

Systemtic Name: 2-(thiophen-2-ylmethyldisulfanyl)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 2-(2-thienylmethyldisulfanyl)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid CAS Name: 2-[oxo-(thiophen-2-ylmethyldisulfanyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 2-(thiophen-2-ylmethyldisulfanyl)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 2-(2-thenyldisulfanyl)carbonyl-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid Formula: C18H16N2O3S3 MolecularWeight: 404.52624

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C3=CC=CC=C3N2)C(=O)SSCC4=CC=CS4)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1C3=CC=CC=C3N2)C(=O)SSCC4=CC=CS4)C(=O)O

InChI

InChI=1S/C18H16N2O3S3/c21-17(22)16-8-13-12-5-1-2-6-14(12)19-15(13)9-20(16)18(23)26-25-10-11-4-3-7-24-11/h1-7,16,19H,8-10H2,(H,21,22)