methyl 4-(furan-2-ylmethylcarbamothioylamino)butanoate

Systemtic Name: methyl 4-(furan-2-ylmethylcarbamothioylamino)butanoate Openeye Name: methyl 4-(2-furylmethylcarbamothioylamino)butanoate CAS Name: 4-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-(furan-2-ylmethylcarbamothioylamino)butanoate Traditional Name: 4-(2-furfurylthiocarbamoylamino)butyric acid methyl ester Formula: C11H16N2O3S MolecularWeight: 256.32134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NCC1=CC=CO1

Isomeric SMILES

COC(=O)CCCNC(=S)NCC1=CC=CO1

InChI

InChI=1S/C11H16N2O3S/c1-15-10(14)5-2-6-12-11(17)13-8-9-4-3-7-16-9/h3-4,7H,2,5-6,8H2,1H3,(H2,12,13,17)