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

Systemtic Name: 1-(1-benzothiophen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 1-(benzothiophen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 1-(1-benzothiophen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 1-(1-benzothiophen-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 1-(benzothiophen-3-yl)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid Formula: C20H16N2O2S MolecularWeight: 348.41824

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(C2=C1C3=CC=CC=C3N2)C4=CSC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1C(NC(C2=C1C3=CC=CC=C3N2)C4=CSC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C20H16N2O2S/c23-20(24)16-9-13-11-5-1-3-7-15(11)21-18(13)19(22-16)14-10-25-17-8-4-2-6-12(14)17/h1-8,10,16,19,21-22H,9H2,(H,23,24)