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

Systemtic Name: 1-(1-benzothiophen-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 1-(benzothiophen-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 1-(1-benzothiophen-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 1-(1-benzothiophen-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 1-(benzothiophen-2-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=CC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1C(NC(C2=C1C3=CC=CC=C3N2)C4=CC5=CC=CC=C5S4)C(=O)O

InChI

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