methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)hexanoate

Systemtic Name: methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)hexanoate Openeye Name: methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)hexanoate CAS Name: 6-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)hexanoate Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)hexanoic acid methyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C16H22N2O4S/c1-20-15(19)5-3-2-4-8-17-16(23)18-12-6-7-13-14(11-12)22-10-9-21-13/h6-7,11H,2-5,8-10H2,1H3,(H2,17,18,23)