[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate

Systemtic Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate Openeye Name: [2-(2,4-dimethoxyanilino)-2-oxo-ethyl] 2-indan-5-ylsulfanylacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)acetic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate Traditional Name: 2-(indan-5-ylthio)acetic acid [2-(2,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC(=O)CSC2=CC3=C(CCC3)C=C2)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC(=O)CSC2=CC3=C(CCC3)C=C2)OC

InChI

InChI=1S/C21H23NO5S/c1-25-16-7-9-18(19(11-16)26-2)22-20(23)12-27-21(24)13-28-17-8-6-14-4-3-5-15(14)10-17/h6-11H,3-5,12-13H2,1-2H3,(H,22,23)