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

Systemtic Name: methyl 2-(furan-2-ylmethylcarbamoylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl 2-(2-furylmethylcarbamoylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-furanylmethylamino)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-(furan-2-ylmethylcarbamoylamino)-4-methylsulfanylbutanoate Traditional Name: 2-(2-furfurylcarbamoylamino)-4-(methylthio)butyric acid methyl ester Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NCC1=CC=CO1

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NCC1=CC=CO1

InChI

InChI=1S/C12H18N2O4S/c1-17-11(15)10(5-7-19-2)14-12(16)13-8-9-4-3-6-18-9/h3-4,6,10H,5,7-8H2,1-2H3,(H2,13,14,16)