1-(5-bromanylthiophen-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 1-(5-bromo-2-thienyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 1-(5-bromo-2-thiophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 1-(5-bromothiophen-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 1-(5-bromo-2-thienyl)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid Formula: C16H13BrN2O2S MolecularWeight: 377.25562

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(C2=C1C3=CC=CC=C3N2)C4=CC=C(S4)Br)C(=O)O

Isomeric SMILES

C1C(NC(C2=C1C3=CC=CC=C3N2)C4=CC=C(S4)Br)C(=O)O

InChI

InChI=1S/C16H13BrN2O2S/c17-13-6-5-12(22-13)15-14-9(7-11(19-15)16(20)21)8-3-1-2-4-10(8)18-14/h1-6,11,15,18-19H,7H2,(H,20,21)