methyl 2-[[2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-(2-methoxyethyl)-1,3-benzoxazole-6-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methoxyethyl)-1,3-benzoxazole-6-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(2-methoxyethyl)-1,3-benzoxazole-6-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCC1=NC2=C(O1)C=C(C=C2)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

COCCC1=NC2=C(O1)C=C(C=C2)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C17H22N2O5S/c1-22-8-6-15-18-12-5-4-11(10-14(12)24-15)16(20)19-13(7-9-25-3)17(21)23-2/h4-5,10,13H,6-9H2,1-3H3,(H,19,20)