methyl 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbamothioylamino)butanoate

Systemtic Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbamothioylamino)butanoate Openeye Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbamothioylamino)butanoate CAS Name: 4-[[(2,3-dihydro-1,4-benzodioxin-3-ylamino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbamothioylamino)butanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylthiocarbamoylamino)butyric acid methyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1COC2=CC=CC=C2O1

Isomeric SMILES

COC(=O)CCCNC(=S)NC1COC2=CC=CC=C2O1

InChI

InChI=1S/C14H18N2O4S/c1-18-13(17)7-4-8-15-14(21)16-12-9-19-10-5-2-3-6-11(10)20-12/h2-3,5-6,12H,4,7-9H2,1H3,(H2,15,16,21)