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

Systemtic Name: 2-[[6-[(4-ethoxyphenyl)carbamoyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-[(4-ethoxyphenyl)carbamoyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]sulfanyl]acetic acid CAS Name: 2-[[6-[(4-ethoxyanilino)-oxomethyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]thio]acetic acid IUPAC Name: 2-[[6-[(4-ethoxyphenyl)carbamoyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-(p-phenetylcarbamoyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]thio]acetic acid Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=C4CCCC4=N3)SCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=C4CCCC4=N3)SCC(=O)O

InChI

InChI=1S/C23H22N2O4S/c1-2-29-16-9-7-15(8-10-16)24-23(28)14-6-11-18-20(12-14)25-19-5-3-4-17(19)22(18)30-13-21(26)27/h6-12H,2-5,13H2,1H3,(H,24,28)(H,26,27)