methyl 4-methylsulfanyl-2-[[5-(quinolin-8-yloxymethyl)-1,2-oxazol-3-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[5-(quinolin-8-yloxymethyl)-1,2-oxazol-3-yl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[5-(8-quinolyloxymethyl)isoxazole-3-carbonyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[5-(8-quinolinyloxymethyl)-3-isoxazolyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[5-(8-quinolyloxymethyl)isoxazole-3-carbonyl]amino]butyric acid methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=NOC(=C1)COC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=NOC(=C1)COC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C20H21N3O5S/c1-26-20(25)15(8-10-29-2)22-19(24)16-11-14(28-23-16)12-27-17-7-3-5-13-6-4-9-21-18(13)17/h3-7,9,11,15H,8,10,12H2,1-2H3,(H,22,24)