ethyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)butanoate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)butanoate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)butanoate CAS Name: 4-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)butanoate Traditional Name: 4-(1,3-benzodioxol-5-ylthiocarbamoylamino)butyric acid ethyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H18N2O4S/c1-2-18-13(17)4-3-7-15-14(21)16-10-5-6-11-12(8-10)20-9-19-11/h5-6,8H,2-4,7,9H2,1H3,(H2,15,16,21)