2-phenoxyethyl 2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoate

Systemtic Name: 2-phenoxyethyl 2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoate Openeye Name: 2-phenoxyethyl 2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4,6,8-trimethyl-2-quinolinyl)thio]acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6,8-trimethyl-2-quinolyl)thio]acetic acid 2-phenoxyethyl ester Formula: C22H23NO3S MolecularWeight: 381.48792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)OCCOC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)OCCOC3=CC=CC=C3)C)C

InChI

InChI=1S/C22H23NO3S/c1-15-11-17(3)22-19(12-15)16(2)13-20(23-22)27-14-21(24)26-10-9-25-18-7-5-4-6-8-18/h4-8,11-13H,9-10,14H2,1-3H3