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

Systemtic Name: 2-[[6-[(2,4-dimethoxyphenyl)carbamoyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-[(2,4-dimethoxyphenyl)carbamoyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]sulfanyl]acetic acid CAS Name: 2-[[6-[(2,4-dimethoxyanilino)-oxomethyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]thio]acetic acid IUPAC Name: 2-[[6-[(2,4-dimethoxyphenyl)carbamoyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-[(2,4-dimethoxyphenyl)carbamoyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]thio]acetic acid Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=C4CCCC4=N3)SCC(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=C4CCCC4=N3)SCC(=O)O)OC

InChI

InChI=1S/C23H22N2O5S/c1-29-14-7-9-18(20(11-14)30-2)25-23(28)13-6-8-16-19(10-13)24-17-5-3-4-15(17)22(16)31-12-21(26)27/h6-11H,3-5,12H2,1-2H3,(H,25,28)(H,26,27)