2-methylsulfanylcarbothioyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 2-methylsulfanylcarbothioyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 2-methylsulfanylcarbothioyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid CAS Name: 2-[(methylthio)-sulfanylidenemethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 2-methylsulfanylcarbothioyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 2-(methylthio)carbothioyl-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid Formula: C14H14N2O2S2 MolecularWeight: 306.40316

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)N1CC2=C(CC1C(=O)O)C3=CC=CC=C3N2

Isomeric SMILES

CSC(=S)N1CC2=C(CC1C(=O)O)C3=CC=CC=C3N2

InChI

InChI=1S/C14H14N2O2S2/c1-20-14(19)16-7-11-9(6-12(16)13(17)18)8-4-2-3-5-10(8)15-11/h2-5,12,15H,6-7H2,1H3,(H,17,18)