2-[[6-(pyridin-3-ylmethylcarbamoyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[6-(pyridin-3-ylmethylcarbamoyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-(3-pyridylmethylcarbamoyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]sulfanyl]acetic acid CAS Name: 2-[[6-[oxo-(3-pyridinylmethylamino)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]thio]acetic acid IUPAC Name: 2-[[6-(pyridin-3-ylmethylcarbamoyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-(3-pyridylmethylcarbamoyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]thio]acetic acid Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)N=C2C1)SCC(=O)O

Isomeric SMILES

C1CC2=C(C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)N=C2C1)SCC(=O)O

InChI

InChI=1S/C21H19N3O3S/c25-19(26)12-28-20-15-4-1-5-17(15)24-18-9-14(6-7-16(18)20)21(27)23-11-13-3-2-8-22-10-13/h2-3,6-10H,1,4-5,11-12H2,(H,23,27)(H,25,26)