methyl 4-methylsulfanyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoate Openeye Name: methyl 4-methylsulfanyl-2-(tetrahydrofuran-2-ylmethylcarbamoylamino)butanoate CAS Name: 4-(methylthio)-2-[[oxo-(2-oxolanylmethylamino)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoate Traditional Name: 4-(methylthio)-2-(tetrahydrofurfurylcarbamoylamino)butyric acid methyl ester Formula: C12H22N2O4S MolecularWeight: 290.37908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NCC1CCCO1

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NCC1CCCO1

InChI

InChI=1S/C12H22N2O4S/c1-17-11(15)10(5-7-19-2)14-12(16)13-8-9-4-3-6-18-9/h9-10H,3-8H2,1-2H3,(H2,13,14,16)