2-[2-(1-benzothiophen-2-ylcarbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethanoic acid

Systemtic Name: 2-[2-(1-benzothiophen-2-ylcarbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethanoic acid Openeye Name: 2-[2-(benzothiophene-2-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid CAS Name: 2-[2-[1-benzothiophen-2-yl(oxo)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid IUPAC Name: 2-[2-(1-benzothiophene-2-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid Traditional Name: 2-[2-(benzothiophene-2-carbonyl)-3,4-dihydro-1H-pyrid[4,3-b]indol-5-yl]acetic acid Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1N(C3=CC=CC=C23)CC(=O)O)C(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC2=C1N(C3=CC=CC=C23)CC(=O)O)C(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C22H18N2O3S/c25-21(26)13-24-17-7-3-2-6-15(17)16-12-23(10-9-18(16)24)22(27)20-11-14-5-1-4-8-19(14)28-20/h1-8,11H,9-10,12-13H2,(H,25,26)