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

Systemtic Name: 2-(3-sulfanylpropanoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 2-(3-sulfanylpropanoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid CAS Name: 2-(3-mercapto-1-oxopropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 2-(3-sulfanylpropanoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 2-(3-mercaptopropanoyl)-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C3=CC=CC=C3N2)C(=O)CCS)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1C3=CC=CC=C3N2)C(=O)CCS)C(=O)O

InChI

InChI=1S/C15H16N2O3S/c18-14(5-6-21)17-8-12-10(7-13(17)15(19)20)9-3-1-2-4-11(9)16-12/h1-4,13,16,21H,5-8H2,(H,19,20)