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

Systemtic Name: 2-(phenacyldisulfanyl)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 2-(phenacyldisulfanyl)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid CAS Name: 2-[oxo-(phenacyldisulfanyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 2-(phenacyldisulfanyl)carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 2-(phenacyldisulfanyl)carbonyl-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S2/c24-19(13-6-2-1-3-7-13)12-28-29-21(27)23-11-17-15(10-18(23)20(25)26)14-8-4-5-9-16(14)22-17/h1-9,18,22H,10-12H2,(H,25,26)