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methyl 6-(1,3-benzodioxol-5-ylcarbamothioylamino)hexanoate

methyl 6-(1,3-benzodioxol-5-ylcarbamothioylamino)hexanoate

Systemtic Name:methyl 6-(1,3-benzodioxol-5-ylcarbamothioylamino)hexanoate
Openeye Name:methyl 6-(1,3-benzodioxol-5-ylcarbamothioylamino)hexanoate
CAS Name:6-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester
IUPAC Name:methyl 6-(1,3-benzodioxol-5-ylcarbamothioylamino)hexanoate
Traditional Name:6-(1,3-benzodioxol-5-ylthiocarbamoylamino)hexanoic acid methyl ester
Formula: C15H20N2O4S
MolecularWeight: 324.3953
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC2=C(C=C1)OCO2


Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC2=C(C=C1)OCO2


InChI

InChI=1S/C15H20N2O4S/c1-19-14(18)5-3-2-4-8-16-15(22)17-11-6-7-12-13(9-11)21-10-20-12/h6-7,9H,2-5,8,10H2,1H3,(H2,16,17,22)


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