2-[[6-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[6-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-(4-ethoxycarbonylpiperazine-1-carbonyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]sulfanyl]acetic acid CAS Name: 2-[[6-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]thio]acetic acid IUPAC Name: 2-[[6-(4-ethoxycarbonylpiperazine-1-carbonyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-(4-carbethoxypiperazine-1-carbonyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]thio]acetic acid Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=C4CCCC4=N3)SCC(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=C4CCCC4=N3)SCC(=O)O

InChI

InChI=1S/C22H25N3O5S/c1-2-30-22(29)25-10-8-24(9-11-25)21(28)14-6-7-16-18(12-14)23-17-5-3-4-15(17)20(16)31-13-19(26)27/h6-7,12H,2-5,8-11,13H2,1H3,(H,26,27)