phenanthridin-6-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate

Systemtic Name: phenanthridin-6-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate Openeye Name: phenanthridin-6-ylmethyl 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]acetic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetic acid phenanthridin-6-ylmethyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C22H20N2O3S/c1-14-19(15(2)27-24-14)12-28-13-22(25)26-11-21-18-9-4-3-7-16(18)17-8-5-6-10-20(17)23-21/h3-10H,11-13H2,1-2H3